4-Piperidinol, 1-methyl-

HCID 66048CAS 106-52-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(O)CC1
InChIKey
BAUWRHPMUVYFOD-UHFFFAOYSA-N
Molecular formula
C6H13NO
Average molar mass
115.17 g/mol
Monoisotopic mass
115.09971404

Names & identifiers

Preferred name
4-Piperidinol, 1-methyl-
IUPAC
1-methylpiperidin-4-ol
English name
N-Methyl-4-piperidinol
Molecular formula
C6H13NO
Molecular weight
115.17

Names & synonyms

1-Methylpiperidin-4-olN-Methyl-4-piperidinol4-Hydroxy-1-methylpiperidine1-Methyl-4-piperidinol4-Hydroxy-N-methylpiperidine4-Piperidinol, 1-methyl-BAUWRHPMUVYFOD-UHFFFAOYSA-EINECS 203-406-81-Methylpiperidinol-(4)AI3-27594DTXSID9059339RefChem:100402
Show more names
N-METHYL-4-HYDROXY PIPERIDINEH431NM4PPOL-4-piperidinoL
DTXCID0032994203-406-8BAUWRHPMUVYFOD-UHFFFAOYSA-NInChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3106-52-5N-Methyl-4-hydroxypiperidine1-Methyl-4-hydroxypiperidineN-Methylpiperidol

Database identifiers

CAS
106-52-5
PubChem CID
66048
DTXSID
DTXSID9059339
ChEMBL
CHEMBL22332
UNII
W95ZLR4RP5
EC Number
203-406-8
Nikkaji
J1.828.792G、J14K

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
29 · 29-31 °C(lit.)
Boiling point
200 °C · 200 °C(lit.)
Density
0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
vapor pressure
8.13 · 8.13-11Pa at 25℃
refractive index
20 · n20/D 1.479
Flash point
190 °F · 190 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 49.1% (52 of 106) of reports.

Danger

H315 (45.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 106 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19249

1-Methyl-4-piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (45.3%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29333999
risk_code
37/38-41-36/37/38-34
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Piperidinol, 1-methyl-: ACTIVE
Applications · 2 items

UsesReactant for:• ;Optimization of Novobiocin scaffold to product antitumor agents1• ;Substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis2Reactant for synthesis of:• ;CaMKII inhibitors3• ;VEGFR and FGFR kinase inhibitors4• ;Phosphoinositide-3-kinase inhibitors5• ;Protein lysine methyltransferase G9a inhibitors6

Uses4-Hydroxy-1-methylpiperidine is used as reactant for optimization of Novobiocin scaffold to product antitumor agents, substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis. It is also used as a reactant in the synthesis of CaMKII, VEGFR and FGFR kinase inhibitors and Phosphoinositide-3-kinase, Protein lysine methyltransferase G9a inhibitors.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

265 records
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Linked notes

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