1-Piperidinocyclohexanecarbonitrile

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.

Cyclohexylamines

Organic compounds

Organonitrogen compounds

Cyclohexylamines

Calculated Property

kind Value Source
logP 2.73 ALOGPS
logS -2.6 ALOGPS
Water Solubility 5.22e-01 g/l ALOGPS
logP 2.6 ChemAxon
IUPAC Name 1-(piperidin-1-yl)cyclohexane-1-carbonitrile ChemAxon
Traditional IUPAC Name 1-(piperidin-1-yl)cyclohexane-1-carbonitrile ChemAxon
Molecular Weight 192.3006 ChemAxon
Monoisotopic Weight 192.16264865 ChemAxon
SMILES N#CC1(CCCCC1)N1CCCCC1 ChemAxon
Molecular Formula C12H20N2 ChemAxon
InChI InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2 ChemAxon
InChIKey InChIKey=WWSAYKJWUZJLRT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 27.03 ChemAxon
Refractivity 58.25 ChemAxon
Polarizability 22.81 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 6.98 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon