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

C18H18Cl2N2O — CID 19325396

IUPAC(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13H2
InChIKeyFIDRUTXPQHNVFV-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.95
Rot. Bonds3

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

(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325396) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19325396
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13H2
InChIKeyFIDRUTXPQHNVFV-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-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 39928527
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 19325526
[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 154528244
(2-chlorophenyl)-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23937716
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19325396) is (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is FIDRUTXPQHNVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13H2.
What are the key properties of (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[(4-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 (2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).