4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one

C21H24ClNO2 — CID 11696150

IUPAC4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2
InChIKeyXMYBCDHWKUBJDW-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.29
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one (PubChem CID 11696150) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one
PubChem CID11696150
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2
InChIKeyXMYBCDHWKUBJDW-UHFFFAOYSA-N
XLogP4.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one (CID 11696150) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one is O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one?
The InChIKey is XMYBCDHWKUBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2.
What are the key properties of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one?
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one has a molecular weight of 357.88 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-phenylbutan-1-one is sourced from PubChem (CID 11696150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).