4-Propylpiperidine

C₈H₁₇NCAS 22398-09-0127.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₇N
Molar mass: 127.23 g/mol
Exact mass: 127.1361 Da
Density: 0.864 g/mL (at 23 °C)
Boiling point: 173 °C
logP: 1.79Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor86.7% of notifiers
H226 Flammable liquid and vapor13.3% of notifiers
H314 Causes severe skin burns and eye damage13.3% of notifiers
H315 Causes skin irritation86.7% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H335 May cause respiratory irritation86.7% of notifiers

Aggregated from 45 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+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

22398-09-0

SMILES

CCCC1CCNCC1

InChIKey

RQGBFVLTFYRYKB-UHFFFAOYSA-N

InChI

InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3

Weigh it out

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

Names and synonyms

3 names

Piperidine, 4-propyl-
4-n-Propylpiperidine
NSC 24355

Work with 4-Propylpiperidine

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

4,4′-Trimethylenedipiperidine16898-52-555 % similar Propylcyclopentane2040-96-255 % similar 4-Piperidineethanol622-26-455 % similar Propylcyclohexane1678-92-852 % similar 4-(Methoxymethyl)piperidine399580-55-350 % similar 4-Propylcyclohexanone40649-36-348 % similar Dipropylamine142-84-747 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-746 % similar

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

Same formula

(S)-(+)-1-Cyclohexylethylamine17430-98-7 Coniine3238-60-6 Cyclooctylamine5452-37-9 Cyclohexylethylamine5459-93-8 (-)-1-Cyclohexylethylamine5913-13-3 1-Butylpyrrolidine767-10-2 N,N-Dimethylcyclohexylamine98-94-2

Elsewhere

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