4-cyclohexyl-3-methylpiperidine

C12H23N — CID 79320400

IUPAC4-cyclohexyl-3-methylpiperidine
SMILESCC1CNCCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeyZNCUZJXQUAQYMK-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds1

About 4-cyclohexyl-3-methylpiperidine

4-cyclohexyl-3-methylpiperidine (PubChem CID 79320400) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-cyclohexyl-3-methylpiperidine.

Molecular Properties

Compound Name4-cyclohexyl-3-methylpiperidine
PubChem CID79320400
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-cyclohexyl-3-methylpiperidine
SMILESCC1CNCCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeyZNCUZJXQUAQYMK-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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Related Compounds

3-cyclohexyl-4-methylpiperidine
CID 84718579
3,4-di(cyclooctyl)piperidine
CID 54064226
3-methyl-4-(oxan-4-yl)piperidine
CID 79320307
4-(4-tert-butylcyclohexyl)-3-methylpiperidine
CID 104576146
4-cyclopentylpiperidin-3-amine
CID 84765487
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
(2-methylcyclopropyl)cyclooctane
CID 19768877
4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
CID 104576151
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
4-tert-butyl-3-cyclopentylpiperidine
CID 112570800
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119550374

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methylpiperidine?
The IUPAC name of 4-cyclohexyl-3-methylpiperidine (CID 79320400) is 4-cyclohexyl-3-methylpiperidine.
What is the SMILES notation for 4-cyclohexyl-3-methylpiperidine?
The canonical SMILES for 4-cyclohexyl-3-methylpiperidine is CC1CNCCC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-methylpiperidine?
The InChIKey is ZNCUZJXQUAQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h10-13H,2-9H2,1H3.
What are the key properties of 4-cyclohexyl-3-methylpiperidine?
4-cyclohexyl-3-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 4-cyclohexyl-3-methylpiperidine is sourced from PubChem (CID 79320400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).