2-[4-(4-methylcyclohexyl)phenyl]piperidine

C18H27N — CID 117397291

IUPAC2-[4-(4-methylcyclohexyl)phenyl]piperidine
SMILESCC1CCC(c2ccc(C3CCCCN3)cc2)CC1
InChIInChI=1S/C18H27N/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h9-12,14-15,18-19H,2-8,13H2,1H3
InChIKeyONGPXQZZZVHZII-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.79
Rot. Bonds2

About 2-[4-(4-methylcyclohexyl)phenyl]piperidine

2-[4-(4-methylcyclohexyl)phenyl]piperidine (PubChem CID 117397291) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)phenyl]piperidine
PubChem CID117397291
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-[4-(4-methylcyclohexyl)phenyl]piperidine
SMILESCC1CCC(c2ccc(C3CCCCN3)cc2)CC1
InChIInChI=1S/C18H27N/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h9-12,14-15,18-19H,2-8,13H2,1H3
InChIKeyONGPXQZZZVHZII-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-methylcyclohexyl)phenyl]piperidine 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

2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
2-(2-methyl-2,3-dihydro-1H-inden-5-yl)piperidine
CID 83835758
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
2-(4-butoxyphenyl)piperidine
CID 3525424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)phenyl]piperidine?
The IUPAC name of 2-[4-(4-methylcyclohexyl)phenyl]piperidine (CID 117397291) is 2-[4-(4-methylcyclohexyl)phenyl]piperidine.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)phenyl]piperidine?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)phenyl]piperidine is CC1CCC(c2ccc(C3CCCCN3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)phenyl]piperidine?
The InChIKey is ONGPXQZZZVHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h9-12,14-15,18-19H,2-8,13H2,1H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)phenyl]piperidine?
2-[4-(4-methylcyclohexyl)phenyl]piperidine has a molecular weight of 257.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)phenyl]piperidine is sourced from PubChem (CID 117397291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).