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

C18H18Cl2N2O — CID 19294991

IUPAC(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-5-14(6-8-16)18(23)22-11-9-21(10-12-22)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2
InChIKeyZYTYPFNSARGVKO-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.95
Rot. Bonds3

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

(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19294991) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19294991
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-5-14(6-8-16)18(23)22-11-9-21(10-12-22)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2
InChIKeyZYTYPFNSARGVKO-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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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294863
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19294991) is (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZYTYPFNSARGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-16-7-5-14(6-8-16)18(23)22-11-9-21(10-12-22)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2.
What are the key properties of (4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]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-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19294991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).