(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone

C18H19ClN2O — CID 720140

IUPAC(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyZLTKEWPBTUOPCB-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.30
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone

(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 720140) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone
PubChem CID720140
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyZLTKEWPBTUOPCB-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone (CID 720140) is (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is ZLTKEWPBTUOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone?
(4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 720140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).