[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone

C18H19ClN2O — CID 749123

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3
InChIKeyVNCJQOGUEXSZJB-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.61
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 749123) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID749123
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3
InChIKeyVNCJQOGUEXSZJB-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 749123) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is VNCJQOGUEXSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 749123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).