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

C21H26N2O — CID 113075800

IUPAC(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26N2O/c1-4-18-7-5-6-8-20(18)22-11-13-23(14-12-22)21(24)19-10-9-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyIYRRNKKQZKJBAJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.83
Rot. Bonds3

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

(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone (PubChem CID 113075800) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
PubChem CID113075800
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26N2O/c1-4-18-7-5-6-8-20(18)22-11-13-23(14-12-22)21(24)19-10-9-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyIYRRNKKQZKJBAJ-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077431
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113079614
4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
CID 22399182
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone (CID 113075800) is (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone is CCc1ccccc1N1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The InChIKey is IYRRNKKQZKJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-18-7-5-6-8-20(18)22-11-13-23(14-12-22)21(24)19-10-9-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone has a molecular weight of 322.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).