1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

C21H26N2O2 — CID 120733699

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1c1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-17(16-9-5-4-6-10-16)21(24)23-14-13-22-15-19(23)18-11-7-8-12-20(18)25-2/h4-12,17,19,22H,3,13-15H2,1-2H3
InChIKeySKDZGENCBDFWAT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (PubChem CID 120733699) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
PubChem CID120733699
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1c1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-17(16-9-5-4-6-10-16)21(24)23-14-13-22-15-19(23)18-11-7-8-12-20(18)25-2/h4-12,17,19,22H,3,13-15H2,1-2H3
InChIKeySKDZGENCBDFWAT-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (CID 120733699) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCNCC1c1ccccc1OC)c1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is SKDZGENCBDFWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17(16-9-5-4-6-10-16)21(24)23-14-13-22-15-19(23)18-11-7-8-12-20(18)25-2/h4-12,17,19,22H,3,13-15H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 120733699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).