(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C19H20Cl2N2O — CID 26881725

IUPAC(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-6-8-23(9-7-22)19(24)15-10-16(20)12-17(21)11-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJZCSYVUTVUZVIE-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.57
Rot. Bonds2

About (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 26881725) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID26881725
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-6-8-23(9-7-22)19(24)15-10-16(20)12-17(21)11-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJZCSYVUTVUZVIE-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
(4-chloro-3-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1346504
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(4-chloro-2-methoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 71822590
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 26881725) is (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1C.
What is the InChIKey of (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is JZCSYVUTVUZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-6-8-23(9-7-22)19(24)15-10-16(20)12-17(21)11-15/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 363.29 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26881725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).