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

C19H29N — CID 117431737

IUPAC3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCCC(c2ccccc2C2CCCNC2)C1
InChIInChI=1S/C19H29N/c1-19(2)11-5-7-15(13-19)17-9-3-4-10-18(17)16-8-6-12-20-14-16/h3-4,9-10,15-16,20H,5-8,11-14H2,1-2H3
InChIKeyGINURYFTNFZQSQ-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.84
Rot. Bonds2

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

3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine (PubChem CID 117431737) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
PubChem CID117431737
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCCC(c2ccccc2C2CCCNC2)C1
InChIInChI=1S/C19H29N/c1-19(2)11-5-7-15(13-19)17-9-3-4-10-18(17)16-8-6-12-20-14-16/h3-4,9-10,15-16,20H,5-8,11-14H2,1-2H3
InChIKeyGINURYFTNFZQSQ-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine?
The IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine (CID 117431737) is 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine.
What is the SMILES notation for 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine?
The canonical SMILES for 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine is CC1(C)CCCC(c2ccccc2C2CCCNC2)C1.
What is the InChIKey of 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine?
The InChIKey is GINURYFTNFZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)11-5-7-15(13-19)17-9-3-4-10-18(17)16-8-6-12-20-14-16/h3-4,9-10,15-16,20H,5-8,11-14H2,1-2H3.
What are the key properties of 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine?
3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine is sourced from PubChem (CID 117431737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).