4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C20H30ClNO2 — CID 126808724

IUPAC4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCCC1(O)CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClNO2/c1-4-9-20(24)10-12-22(13-11-20)18(23)15-19(2,3)14-16-5-7-17(21)8-6-16/h5-8,24H,4,9-15H2,1-3H3
InChIKeyQUMGAYFLGPHRSA-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.45
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one

4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 126808724) has the molecular formula C20H30ClNO2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID126808724
Molecular FormulaC20H30ClNO2
Molecular Weight351.92 g/mol
Exact Mass351.20
IUPAC Name4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCCC1(O)CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClNO2/c1-4-9-20(24)10-12-22(13-11-20)18(23)15-19(2,3)14-16-5-7-17(21)8-6-16/h5-8,24H,4,9-15H2,1-3H3
InChIKeyQUMGAYFLGPHRSA-UHFFFAOYSA-N
XLogP4.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 126808724) is 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CCCC1(O)CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is QUMGAYFLGPHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO2/c1-4-9-20(24)10-12-22(13-11-20)18(23)15-19(2,3)14-16-5-7-17(21)8-6-16/h5-8,24H,4,9-15H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 351.92 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 126808724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).