2-(1-octylpiperidin-2-yl)cyclohexan-1-one

C19H35NO — CID 79539887

IUPAC2-(1-octylpiperidin-2-yl)cyclohexan-1-one
SMILESCCCCCCCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-10-15-20-16-11-9-13-18(20)17-12-7-8-14-19(17)21/h17-18H,2-16H2,1H3
InChIKeyFAEAKEWBGWUFOD-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.96
Rot. Bonds8

About 2-(1-octylpiperidin-2-yl)cyclohexan-1-one

2-(1-octylpiperidin-2-yl)cyclohexan-1-one (PubChem CID 79539887) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(1-octylpiperidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-octylpiperidin-2-yl)cyclohexan-1-one
PubChem CID79539887
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-(1-octylpiperidin-2-yl)cyclohexan-1-one
SMILESCCCCCCCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-10-15-20-16-11-9-13-18(20)17-12-7-8-14-19(17)21/h17-18H,2-16H2,1H3
InChIKeyFAEAKEWBGWUFOD-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-octylpiperidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-octylpiperidin-2-yl)cyclohexan-1-one (CID 79539887) is 2-(1-octylpiperidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-octylpiperidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-octylpiperidin-2-yl)cyclohexan-1-one is CCCCCCCCN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-octylpiperidin-2-yl)cyclohexan-1-one?
The InChIKey is FAEAKEWBGWUFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-3-4-5-6-10-15-20-16-11-9-13-18(20)17-12-7-8-14-19(17)21/h17-18H,2-16H2,1H3.
What are the key properties of 2-(1-octylpiperidin-2-yl)cyclohexan-1-one?
2-(1-octylpiperidin-2-yl)cyclohexan-1-one has a molecular weight of 293.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octylpiperidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79539887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).