9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one

C20H30ClNO — CID 171355852

IUPAC9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C20H30ClNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2
InChIKeyKOWUCGSDCWDDCN-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.63
Rot. Bonds9

About 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one

9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one (PubChem CID 171355852) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one.

Molecular Properties

Compound Name9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one
PubChem CID171355852
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C20H30ClNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2
InChIKeyKOWUCGSDCWDDCN-UHFFFAOYSA-N
XLogP5.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one?
The IUPAC name of 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one (CID 171355852) is 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one.
What is the SMILES notation for 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one?
The canonical SMILES for 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one is O=C(CCCCCCCCc1ccccc1Cl)N1CCCCC1.
What is the InChIKey of 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one?
The InChIKey is KOWUCGSDCWDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2.
What are the key properties of 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one?
9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one has a molecular weight of 335.92 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)-1-piperidin-1-ylnonan-1-one is sourced from PubChem (CID 171355852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).