4-Methylpiperidine

C₆H₁₃NCAS 626-58-499.18 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₃N
Molar mass: 99.18 g/mol
Exact mass: 99.1048 Da
Density: 0.9557 g/mL (at 15 °C)
Boiling point: 130 °C
logP: 1.01Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed12.3% of notifiers
H314 Causes severe skin burns and eye damage27.7% of notifiers
H315 Causes skin irritation70.8% of notifiers
H319 Causes serious eye irritation70.8% of notifiers
H335 May cause respiratory irritation70.8% of notifiers

Aggregated from 65 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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

626-58-4

SMILES

CC1CCNCC1

InChIKey

UZOFELREXGAFOI-UHFFFAOYSA-N

InChI

InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

5 names

Piperidine, 4-methyl-
4-Pipecoline
γ-Pipecoline
NSC 126910
NSC 66495

Work with 4-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

Similar compounds

Diisoamylamine544-00-356 % similar 1,4-Dimethylcyclohexane589-90-253 % similar cis-1,4-Dimethylcyclohexane624-29-353 % similar Methylcyclopentane96-37-747 % similar 5-Methyl-[1,4]diazepane22777-05-545 % similar Methylcyclohexane108-87-244 % similar 4-(3-Methyl-piperidin-1-yl)-piperidine551923-14-944 % similar 2,4-Dimethylpiperidine6287-19-043 % similar

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

Same formula

Cyclohexylamine108-91-8 2-Methylpiperidine109-05-7 Azepane111-49-9 N-Ethyl-2-methylallylamine18328-90-0 (S)-(+)-2-Methylpiperidine3197-42-0 2,2-Dimethylpyrrolidine35018-15-6 3-Methylpiperidine626-56-2 N-Methylpiperidine626-67-5

Elsewhere

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