2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C21H26N2O — CID 17145715

IUPAC2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-18-7-5-6-10-20(18)17-21(24)23-15-13-22(14-16-23)12-11-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3
InChIKeyIWVCPHQDWAXCIF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 17145715) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID17145715
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-18-7-5-6-10-20(18)17-21(24)23-15-13-22(14-16-23)12-11-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3
InChIKeyIWVCPHQDWAXCIF-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113075180
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
2-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 60613987
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
3-(2-aminophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120612183
1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 60614765
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
4-[[[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019626
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 136543370
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 17145715) is 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is IWVCPHQDWAXCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-18-7-5-6-10-20(18)17-21(24)23-15-13-22(14-16-23)12-11-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 322.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17145715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).