[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

C19H21ClN2O — CID 788974

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-14-6-7-16(12-15(14)2)19(23)22-10-8-21(9-11-22)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11H2,1-2H3
InChIKeyQNFXKJAKLTZBHJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.92
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 788974) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID788974
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-14-6-7-16(12-15(14)2)19(23)22-10-8-21(9-11-22)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11H2,1-2H3
InChIKeyQNFXKJAKLTZBHJ-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (CID 788974) is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is QNFXKJAKLTZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-6-7-16(12-15(14)2)19(23)22-10-8-21(9-11-22)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 328.84 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 788974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).