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

C19H29N — CID 117431735

IUPAC4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCC(c2cccc(C3CCNCC3)c2)CC1
InChIInChI=1S/C19H29N/c1-19(2)10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20-13-9-16/h3-5,14-16,20H,6-13H2,1-2H3
InChIKeyJYCAIKCLKGPNES-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.84
Rot. Bonds2

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

4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine (PubChem CID 117431735) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
PubChem CID117431735
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CCC(c2cccc(C3CCNCC3)c2)CC1
InChIInChI=1S/C19H29N/c1-19(2)10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20-13-9-16/h3-5,14-16,20H,6-13H2,1-2H3
InChIKeyJYCAIKCLKGPNES-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 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The IUPAC name of 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine (CID 117431735) is 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine.
What is the SMILES notation for 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The canonical SMILES for 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine is CC1(C)CCC(c2cccc(C3CCNCC3)c2)CC1.
What is the InChIKey of 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
The InChIKey is JYCAIKCLKGPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20-13-9-16/h3-5,14-16,20H,6-13H2,1-2H3.
What are the key properties of 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine?
4-[3-(4,4-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 4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine is sourced from PubChem (CID 117431735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).