2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine

C19H29N — CID 117431747

IUPAC2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCC(c2cccc(C3CCCCN3)c2)CC1
InChIInChI=1S/C19H29N/c1-19(2)11-9-15(10-12-19)16-6-5-7-17(14-16)18-8-3-4-13-20-18/h5-7,14-15,18,20H,3-4,8-13H2,1-2H3
InChIKeyYCVMOQXYONYLBD-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.18
Rot. Bonds2

About 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine

2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine (PubChem CID 117431747) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
PubChem CID117431747
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCC(c2cccc(C3CCCCN3)c2)CC1
InChIInChI=1S/C19H29N/c1-19(2)11-9-15(10-12-19)16-6-5-7-17(14-16)18-8-3-4-13-20-18/h5-7,14-15,18,20H,3-4,8-13H2,1-2H3
InChIKeyYCVMOQXYONYLBD-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
(2R)-2-(3-methylphenyl)azepane
CID 7048257
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
(2S)-2-phenylpiperidine
CID 10997356
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
N-(3-piperidin-2-ylphenyl)sulfanylmethanamine
CID 131995035

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine (CID 117431747) is 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine.
What is the SMILES notation for 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The canonical SMILES for 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine is CC1(C)CCC(c2cccc(C3CCCCN3)c2)CC1.
What is the InChIKey of 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The InChIKey is YCVMOQXYONYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)11-9-15(10-12-19)16-6-5-7-17(14-16)18-8-3-4-13-20-18/h5-7,14-15,18,20H,3-4,8-13H2,1-2H3.
What are the key properties of 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine has a molecular weight of 271.45 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine is sourced from PubChem (CID 117431747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).