(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone

C20H23ClN2O — CID 6456860

IUPAC(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H23ClN2O/c1-14-12-15(2)19(16(3)13-14)22-8-10-23(11-9-22)20(24)17-6-4-5-7-18(17)21/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIJWSYISYLLEZKW-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.23
Rot. Bonds2

About (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone (PubChem CID 6456860) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
PubChem CID6456860
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H23ClN2O/c1-14-12-15(2)19(16(3)13-14)22-8-10-23(11-9-22)20(24)17-6-4-5-7-18(17)21/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIJWSYISYLLEZKW-UHFFFAOYSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113077014
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
(2-chlorophenyl)-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539889
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone (CID 6456860) is (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone is Cc1cc(C)c(N2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1.
What is the InChIKey of (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is IJWSYISYLLEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-12-15(2)19(16(3)13-14)22-8-10-23(11-9-22)20(24)17-6-4-5-7-18(17)21/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 342.87 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 6456860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).