1-(3-methylcyclohexen-1-yl)piperidine

C12H21N — CID 13184321

IUPAC1-(3-methylcyclohexen-1-yl)piperidine
SMILESCC1C=C(N2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h10-11H,2-9H2,1H3
InChIKeyOQYOUBILYDQATC-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.18
Rot. Bonds1

About 1-(3-methylcyclohexen-1-yl)piperidine

1-(3-methylcyclohexen-1-yl)piperidine (PubChem CID 13184321) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(3-methylcyclohexen-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-methylcyclohexen-1-yl)piperidine
PubChem CID13184321
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(3-methylcyclohexen-1-yl)piperidine
SMILESCC1C=C(N2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h10-11H,2-9H2,1H3
InChIKeyOQYOUBILYDQATC-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexen-1-yl)piperidine?
The IUPAC name of 1-(3-methylcyclohexen-1-yl)piperidine (CID 13184321) is 1-(3-methylcyclohexen-1-yl)piperidine.
What is the SMILES notation for 1-(3-methylcyclohexen-1-yl)piperidine?
The canonical SMILES for 1-(3-methylcyclohexen-1-yl)piperidine is CC1C=C(N2CCCCC2)CCC1.
What is the InChIKey of 1-(3-methylcyclohexen-1-yl)piperidine?
The InChIKey is OQYOUBILYDQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-methylcyclohexen-1-yl)piperidine?
1-(3-methylcyclohexen-1-yl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexen-1-yl)piperidine is sourced from PubChem (CID 13184321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).