(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone

C18H18Cl2N2O — CID 3557712

IUPAC(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-6-15(12-17(16)20)18(23)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyOUBZOWLFUZLVJD-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.95
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone

(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 3557712) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone
PubChem CID3557712
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-6-15(12-17(16)20)18(23)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyOUBZOWLFUZLVJD-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.95
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)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone (CID 3557712) is (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is OUBZOWLFUZLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-16-7-6-15(12-17(16)20)18(23)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone?
(4-benzylpiperazin-1-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 349.26 g/mol, XLogP of 3.95, 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)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 3557712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).