1-(4-chlorophenyl)piperidin-4-one

C11H12ClNO — CID 14212774

IUPAC1-(4-chlorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChIKeySUPUBCWGOUYLIG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.51
Rot. Bonds1

About 1-(4-chlorophenyl)piperidin-4-one

1-(4-chlorophenyl)piperidin-4-one (PubChem CID 14212774) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)piperidin-4-one
PubChem CID14212774
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chlorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChIKeySUPUBCWGOUYLIG-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)piperidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)piperidin-4-one (CID 14212774) is 1-(4-chlorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)piperidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)piperidin-4-one is O=C1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)piperidin-4-one?
The InChIKey is SUPUBCWGOUYLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)piperidin-4-one?
1-(4-chlorophenyl)piperidin-4-one has a molecular weight of 209.68 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)piperidin-4-one is sourced from PubChem (CID 14212774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).