2-(2,2-dicyclohexylethyl)piperidine;hydrochloride

C19H36ClN — CID 71369675

IUPAC2-(2,2-dicyclohexylethyl)piperidine;hydrochloride
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N.ClH/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h16-20H,1-15H2;1H
InChIKeyIUISNHKIKKJZCK-UHFFFAOYSA-N
MW313.96 g/mol
LogP5.72
Rot. Bonds4

About 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride

2-(2,2-dicyclohexylethyl)piperidine;hydrochloride (PubChem CID 71369675) has the molecular formula C19H36ClN and a molecular weight of 313.96 g/mol. Its IUPAC name is 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dicyclohexylethyl)piperidine;hydrochloride
PubChem CID71369675
Molecular FormulaC19H36ClN
Molecular Weight313.96 g/mol
Exact Mass313.25
IUPAC Name2-(2,2-dicyclohexylethyl)piperidine;hydrochloride
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N.ClH/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h16-20H,1-15H2;1H
InChIKeyIUISNHKIKKJZCK-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.96
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
CID 91885566
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
1-cyclobutyl-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906819
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
1,2-dicyclohexylethylcyclohexane
CID 158413043
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
2-(fluoromethyl)azocane
CID 170142115
[(2S)-azepan-2-yl]methanol
CID 870731
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride (CID 71369675) is 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride is C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.Cl.
What is the InChIKey of 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride?
The InChIKey is IUISNHKIKKJZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N.ClH/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h16-20H,1-15H2;1H.
What are the key properties of 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride?
2-(2,2-dicyclohexylethyl)piperidine;hydrochloride has a molecular weight of 313.96 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexylethyl)piperidine;hydrochloride is sourced from PubChem (CID 71369675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).