4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one

C23H28ClNO — CID 52940985

IUPAC4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one
SMILESCc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClNO/c1-17-5-6-18(2)22(16-17)23(26)4-3-13-25-14-11-20(12-15-25)19-7-9-21(24)10-8-19/h5-10,16,20H,3-4,11-15H2,1-2H3
InChIKeyPZBBMWTZUNRBLR-UHFFFAOYSA-N
MW369.94 g/mol
LogP5.80
Rot. Bonds6

About 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one

4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one (PubChem CID 52940985) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one
PubChem CID52940985
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC Name4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one
SMILESCc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClNO/c1-17-5-6-18(2)22(16-17)23(26)4-3-13-25-14-11-20(12-15-25)19-7-9-21(24)10-8-19/h5-10,16,20H,3-4,11-15H2,1-2H3
InChIKeyPZBBMWTZUNRBLR-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-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

Related Compounds

Amiperone
CID 71101
Hptp
CID 171187
4-[4-(4-Chlorophenyl)piperidin-1-yl]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)butan-1-one
CID 21108114
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-p-tolyl-methanone
CID 1437819
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 199915
Cloroperone Hydrochloride
CID 41535
Cloroperone
CID 41536
N-(1-Phenylpropionyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 3083457
4-[6-(4-Chlorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-1-(4-fluorophenyl)butan-1-one
CID 155544891
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
6-Chloro-1''-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,4''-(hexahydropyridine)]-1-one
CID 10450758

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one (CID 52940985) is 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one is Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one?
The InChIKey is PZBBMWTZUNRBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO/c1-17-5-6-18(2)22(16-17)23(26)4-3-13-25-14-11-20(12-15-25)19-7-9-21(24)10-8-19/h5-10,16,20H,3-4,11-15H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one?
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one has a molecular weight of 369.94 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one is sourced from PubChem (CID 52940985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).