4-(4-methylcyclohex-3-en-1-yl)piperidine

C12H21N — CID 54508377

IUPAC4-(4-methylcyclohex-3-en-1-yl)piperidine
SMILESCC1=CCC(C2CCNCC2)CC1
InChIInChI=1S/C12H21N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,11-13H,3-9H2,1H3
InChIKeyYHIVAKGMSMLWAF-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-methylcyclohex-3-en-1-yl)piperidine

4-(4-methylcyclohex-3-en-1-yl)piperidine (PubChem CID 54508377) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-(4-methylcyclohex-3-en-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-methylcyclohex-3-en-1-yl)piperidine
PubChem CID54508377
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-(4-methylcyclohex-3-en-1-yl)piperidine
SMILESCC1=CCC(C2CCNCC2)CC1
InChIInChI=1S/C12H21N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,11-13H,3-9H2,1H3
InChIKeyYHIVAKGMSMLWAF-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohex-3-en-1-yl)piperidine?
The IUPAC name of 4-(4-methylcyclohex-3-en-1-yl)piperidine (CID 54508377) is 4-(4-methylcyclohex-3-en-1-yl)piperidine.
What is the SMILES notation for 4-(4-methylcyclohex-3-en-1-yl)piperidine?
The canonical SMILES for 4-(4-methylcyclohex-3-en-1-yl)piperidine is CC1=CCC(C2CCNCC2)CC1.
What is the InChIKey of 4-(4-methylcyclohex-3-en-1-yl)piperidine?
The InChIKey is YHIVAKGMSMLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,11-13H,3-9H2,1H3.
What are the key properties of 4-(4-methylcyclohex-3-en-1-yl)piperidine?
4-(4-methylcyclohex-3-en-1-yl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohex-3-en-1-yl)piperidine is sourced from PubChem (CID 54508377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).