1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone

C27H30N2O — CID 174171079

IUPAC1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C)cc2C(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H30N2O/c1-20-9-14-27(29-17-15-28(16-18-29)22(3)30)26(19-20)21(2)23-10-12-25(13-11-23)24-7-5-4-6-8-24/h4-14,19,21H,15-18H2,1-3H3
InChIKeyOCJLSZKKAZHXFI-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.48
Rot. Bonds4

About 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 174171079) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
PubChem CID174171079
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C)cc2C(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H30N2O/c1-20-9-14-27(29-17-15-28(16-18-29)22(3)30)26(19-20)21(2)23-10-12-25(13-11-23)24-7-5-4-6-8-24/h4-14,19,21H,15-18H2,1-3H3
InChIKeyOCJLSZKKAZHXFI-UHFFFAOYSA-N
XLogP5.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone (CID 174171079) is 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C)cc2C(C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is OCJLSZKKAZHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-20-9-14-27(29-17-15-28(16-18-29)22(3)30)26(19-20)21(2)23-10-12-25(13-11-23)24-7-5-4-6-8-24/h4-14,19,21H,15-18H2,1-3H3.
What are the key properties of 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 398.55 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-2-[1-(4-phenylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 174171079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).