3-Methylpiperidine
Properties
- Molecular formula
- C6H13N
- Molar mass
- 99.18 g/mol
- Exact mass
- 99.1048 Da
- Density
- 0.857 g/mL (at 20 °C)
- Melting point
- 174–175 °C
- Boiling point
- 125 °C
- logP
- 1.01Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage10.2% of notifiers
- H315 Causes skin irritation89.8% of notifiers
- H319 Causes serious eye irritation89.8% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
626-56-2SMILES
CC1CCCNC1InChIKey
JEGMWWXJUXDNJN-UHFFFAOYSA-NInChI
InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Piperidine, 3-methyl-
- 3-Pipecoline
- Piperidine, 3-methyl-, (±)-
- β-Pipecoline
- β-Methylpiperidine
- (±)-3-Methylpiperidine
- NSC 66494
Work with 3-Methylpiperidine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
3,5-Dimethylpiperidine35794-11-745 % similar
Methylcyclopentane96-37-745 % similar
3-Methoxypiperidine4045-29-844 % similar
3-(Dimethylamino)piperidine50534-49-144 % similar
(3R)-Piperidin-3-amine127294-73-944 % similar
3-Aminopiperidine54012-73-644 % similar
3-Hydroxypiperidine6859-99-044 % similar
(S)-Piperidin-3-amine80918-66-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds