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

C20H24N2O — CID 113075595

IUPAC[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-4-6-18(12-15)20(23)22-9-7-21(8-10-22)19-13-16(2)11-17(3)14-19/h4-6,11-14H,7-10H2,1-3H3
InChIKeyFPQBLQDOFMSLQO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.57
Rot. Bonds2

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

[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113075595) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113075595
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-4-6-18(12-15)20(23)22-9-7-21(8-10-22)19-13-16(2)11-17(3)14-19/h4-6,11-14H,7-10H2,1-3H3
InChIKeyFPQBLQDOFMSLQO-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 113079200
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113075595) is [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is FPQBLQDOFMSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-5-4-6-18(12-15)20(23)22-9-7-21(8-10-22)19-13-16(2)11-17(3)14-19/h4-6,11-14H,7-10H2,1-3H3.
What are the key properties of [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113075595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).