2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one

C16H27NO — CID 79553177

IUPAC2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one
SMILESC=CCCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H27NO/c1-2-3-7-12-17-13-8-6-10-15(17)14-9-4-5-11-16(14)18/h2,14-15H,1,3-13H2
InChIKeyRVNXAQHACRGLQG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds5

About 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one

2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one (PubChem CID 79553177) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one
PubChem CID79553177
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one
SMILESC=CCCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H27NO/c1-2-3-7-12-17-13-8-6-10-15(17)14-9-4-5-11-16(14)18/h2,14-15H,1,3-13H2
InChIKeyRVNXAQHACRGLQG-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one (CID 79553177) is 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one is C=CCCCN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one?
The InChIKey is RVNXAQHACRGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-7-12-17-13-8-6-10-15(17)14-9-4-5-11-16(14)18/h2,14-15H,1,3-13H2.
What are the key properties of 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one?
2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pent-4-enylpiperidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79553177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).