2-cyclohexyl-1-methylpiperidine

C12H23N — CID 3020570

IUPAC2-cyclohexyl-1-methylpiperidine
SMILESCN1CCCCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3
InChIKeyNLDMHZIITZOHPA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-1-methylpiperidine

2-cyclohexyl-1-methylpiperidine (PubChem CID 3020570) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-methylpiperidine.

Molecular Properties

Compound Name2-cyclohexyl-1-methylpiperidine
PubChem CID3020570
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-cyclohexyl-1-methylpiperidine
SMILESCN1CCCCC1C1CCCCC1
InChIInChI=1S/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3
InChIKeyNLDMHZIITZOHPA-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methylpiperidine?
The IUPAC name of 2-cyclohexyl-1-methylpiperidine (CID 3020570) is 2-cyclohexyl-1-methylpiperidine.
What is the SMILES notation for 2-cyclohexyl-1-methylpiperidine?
The canonical SMILES for 2-cyclohexyl-1-methylpiperidine is CN1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methylpiperidine?
The InChIKey is NLDMHZIITZOHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-1-methylpiperidine?
2-cyclohexyl-1-methylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methylpiperidine is sourced from PubChem (CID 3020570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).