[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C20H23ClN2O — CID 2169854

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15(2)16-3-5-17(6-4-16)20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h3-10,15H,11-14H2,1-2H3
InChIKeyXNMGBXAFOMHQPG-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.43
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 2169854) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID2169854
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15(2)16-3-5-17(6-4-16)20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h3-10,15H,11-14H2,1-2H3
InChIKeyXNMGBXAFOMHQPG-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(4-chlorophenyl)-[4-[4-nitro-3-[(4-propan-2-ylphenyl)methylamino]phenyl]piperazin-1-yl]methanone
CID 2888487
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
CID 1070449
2-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399353
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544785
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 2169854) is [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is XNMGBXAFOMHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15(2)16-3-5-17(6-4-16)20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 342.87 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 2169854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).