1-(Cyclohexylmethyl)piperazine

C11H22N2CAS 57184-23-3182.31 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C11H22N2
Molar mass
182.31 g/mol
Exact mass
182.1783 Da
logP
1.47Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57184-23-3
SMILES
C1CCC(CC1)CN2CCNCC2
InChIKey
LRPGNFROBDUREU-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h11-12H,1-10H2

Weigh it out

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

Work with 1-(Cyclohexylmethyl)piperazine

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

Similar compounds

1-(N-Methylpiperidin-3-yl-methyl)piperazine496808-03-860 % similar 1-Cyclohexylpiperazine17766-28-850 % similar 1-Cyclooctylpiperazine21043-43-650 % similar 1-(Tetrahydro-2-furylmethyl)piperazine82500-35-448 % similar N-Isobutyl piperazine5308-28-148 % similar 1-(2-Piperidinoethyl)piperazine22763-65-148 % similar 1-Cyclopentylpiperazine21043-40-346 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Cycloheptylpiperazine21043-42-5 3-(Octylamino)propiononitrile29504-89-0 4-(3-Methyl-piperidin-1-yl)-piperidine551923-14-9 3-(tert-Octylamino)propionitrile86375-28-2

Elsewhere

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