(1-Methyl-3-piperidyl)methanol

HCID 97998CAS 7583-53-1

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCCC(CO)C1
InChIKey: UGXQXVDTGJCQHR-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: (1-Methyl-3-piperidyl)methanol
IUPAC: (1-methylpiperidin-3-yl)methanol
English name: 1-Methyl-3-piperidinemethanol
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

3-Piperidinemethanol, 1-methyl-(1-Methyl-3-piperidyl)methanolEINECS 231-488-5NSC 66541RefChem:392365231-488-51-Methyl-3-piperidinemethanol7583-53-1(1-methylpiperidin-3-yl)methanol1-Methylpiperidine-3-methanol230294-57-23-Hydroxymethyl-1-methylpiperidine

Show more names

1-Methy-3-piperidinemethanolN-Methylpiperidine-3-methanolN-METHYLPIPERIDINE-3-CARBINOLN-Methyl-3-piperidinecarbinolN-METHYL-3-PIPERIDINE METHANOLN-methyl-3-piperidinyl alcohol

MFCD00006497Hydroxymethyl-N-methylpiperidine1-Methyl-3-hydroxymethylpiperidineHydroxymethyl-?N-?methylpiperidine3-(Hydroxymethyl)-1-methylpiperidine(1-methyl-piperidin-3-yl)-methanolNSC665411-Methylpiperdin-3-ylmethanol

Database identifiers

CAS: 7583-53-1
PubChem CID: 97998
DTXSID: DTXSID80871194
EC Number: 231-488-5
Nikkaji: J62.784D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Boiling point: 140 · 140-145 °C
Density: 1.01 · 1.01
refractive index: 1.4772 · 1.4772-1.4792
Flash point: 94 °C · 94 °C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 14.93 · 14.93±0.10(Predicted)
color: Colorless to Yellow to Orange
BRN: 103713 · 103713
CAS DataBase Reference: 7583 · 7583-53-1(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-Methyl-3-piperidinemethanol(7583-53-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-45-36/37/38-23
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29333990 · 29333990

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information3-Piperidinemethanol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-45-36/37/38-23
hazard_class: IRRITANT
packing_group: III
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesHydroxymethyl-N-methylpiperidine is used in the preparation of pyrimidines as FGFR3 tyrosine kinase inhibitors as well as for potent pyrazine c-Src inhibitors in the treatment of ischemic stroke.