chempirical

4-Methylpiperidin-4-ol

C6H13NOCAS 3970-68-1115.18 g/mol

Open in Covalent MOL file
NHHO
AlcoholSecondary amine

Properties

Molecular formula
C6H13NO
Molar mass
115.18 g/mol
Exact mass
115.0997 Da
logP
0.12Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3970-68-1
SMILES
CC1(CCNCC1)O
InChIKey
CXBLQEIODBBSQD-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-6(8)2-4-7-5-3-6/h7-8H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Methylpiperidin-4-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylpiperidin-4-ol hydrochloride586375-35-1Salt

Similar compounds

1-Methylcyclopentanol1462-03-955 % similar 1-Methylcyclohexanol590-67-052 % similar 5-Methyl-5-nonanol33933-78-746 % similar 4,4-Dihydroxypiperidine hydrochloride40064-34-442 % similar 3-Methyl-3-pentanol77-74-741 % similar 4-Methyl-4-nonanol23418-38-441 % similar 4-(Hydroxymethyl)piperidin-4-ol89584-31-640 % similar 4-(Trifluoromethyl)-4-piperidinol373603-69-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

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