3-Piperidinol, 1-methyl- (HCID 98016)

Names & identifiers

Preferred name: 3-Piperidinol, 1-methyl-
IUPAC: 1-methylpiperidin-3-ol
English name: 3-Hydroxy-1-methylpiperidine
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

3-Hydroxy-1-methylpiperidine1-Methylpiperidin-3-ol3554-74-31-Methyl-3-piperidinolN-Methyl-3-piperidinol3-Piperidinol, 1-methyl-3-Hydroxy-N-methylpiperidine1-Methyl-3-hydroxypiperidineN-Methyl-3-hydroxypiperidineEINECS 222-609-2NSC 68348UKANCZCEGQDKGF-UHFFFAOYSA-

Show more names

NM3PPOL1-methyl-3-ol1-methyl-3-piperidinoN-Methyl-3-piperidinol 98%3-Hydroxy-l-methylpiperidine

DTXSID90883920RefChem:505033DTXCID50835248222-609-2InChI=1/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3MFCD00006495CHEMBL21531NSC68348

Database identifiers

CAS: 3554-74-3
PubChem CID: 98016
DTXSID: DTXSID90883920
ChEMBL: CHEMBL21531
EC Number: 222-609-2
Nikkaji: J185F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Boiling point: 76 · 76-78 °C11 mm Hg(lit.)
Density: 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.475
Flash point: 158 °F · 158 °F
pka: 14.95 · 14.95±0.20(Predicted)
form: liquid
color: Clear, orange
Water Solubility: Fully misicible in water.
BRN: 103017 · 103017
InChI: InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey: UKANCZCEGQDKGF-UHFFFAOYSA-N
SMILES: N1(C)CCCC(O)C1
CAS DataBase Reference: 3554 · 3554-74-3(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3-Piperidinol, 1-methyl-(3554-74-3)
EPA Substance Registry System: 3 · 3-Piperidinol, 1-methyl- (3554-74-3)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H227
Precautionary statements: 261 · P261-P305+P351+P338-P210e-P280a-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-6/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29333990
risk_code: 36/37/38-6/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H227
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P210e-P280a-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Piperidinol, 1-methyl-: ACTIVE

Applications · 3 items

UsesReactant for:• ;Optimization of Novobiocin scaffold to produce antitumor agents1• ;Formation of carbamates and N-alkylimidazoles2Reactant for synthesis of:• ;Pyridine derivatives as CDK5 inhibitors3• ;Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors4• ;Amino phosphite ligands5• ;Mexiletine enantiomers by nucleophilic aromatic substitution6

UsesReactant for Optimization of Novobiocin scaffold to produce antitumor agents, Formation of carbamates and N-alkylimidazoles. Reactant for synthesis of Pyridine derivatives as CDK5 inhibitors Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors, Amino phosphite ligands, Mexiletine enantiomers by nucleophilic aromatic substitution.

UsesReactant for:Optimization of Novobiocin scaffold to produce antitumor agentsFormation of carbamates and N-alkylimidazolesReactant for synthesis of:Pyridine derivatives as CDK5 inhibitorsPhenylcarbamate derivatives as ligands for nicotinic acetylcholine receptorsAmino phosphite ligandsMexiletine enantiomers by nucleophilic aromatic substitution