3-cyclohexyl-4-methylpiperidine

C12H23N — CID 84718579

IUPAC3-cyclohexyl-4-methylpiperidine
SMILESCC1CCNCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeyPGYCKPYFTAJYEI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds1

About 3-cyclohexyl-4-methylpiperidine

3-cyclohexyl-4-methylpiperidine (PubChem CID 84718579) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclohexyl-4-methylpiperidine.

Molecular Properties

Compound Name3-cyclohexyl-4-methylpiperidine
PubChem CID84718579
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-cyclohexyl-4-methylpiperidine
SMILESCC1CCNCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeyPGYCKPYFTAJYEI-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methylpiperidine?
The IUPAC name of 3-cyclohexyl-4-methylpiperidine (CID 84718579) is 3-cyclohexyl-4-methylpiperidine.
What is the SMILES notation for 3-cyclohexyl-4-methylpiperidine?
The canonical SMILES for 3-cyclohexyl-4-methylpiperidine is CC1CCNCC1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methylpiperidine?
The InChIKey is PGYCKPYFTAJYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-4-methylpiperidine?
3-cyclohexyl-4-methylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methylpiperidine is sourced from PubChem (CID 84718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).