1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C15H21ClN2O2 — CID 143462130

IUPAC1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11-10-12(16)4-5-13(11)17-6-8-18(9-7-17)14(19)15(2,3)20/h4-5,10,20H,6-9H2,1-3H3
InChIKeySFZOLPDMXCRLEH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 143462130) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID143462130
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11-10-12(16)4-5-13(11)17-6-8-18(9-7-17)14(19)15(2,3)20/h4-5,10,20H,6-9H2,1-3H3
InChIKeySFZOLPDMXCRLEH-UHFFFAOYSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-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

1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-phenylpiperazine
CID 143462133
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 143462132
[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
2,5-dichloro-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 17050207
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113076805
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110608470
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 143462130) is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is SFZOLPDMXCRLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-10-12(16)4-5-13(11)17-6-8-18(9-7-17)14(19)15(2,3)20/h4-5,10,20H,6-9H2,1-3H3.
What are the key properties of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 143462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).