1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one

C17H26N2O — CID 62777093

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
SMILESCC(C)CN1CCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-15(2)13-18-8-10-19(11-9-18)14-17(20)12-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGIBYRQAIFHYFQQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.07
Rot. Bonds6

About 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one

1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one (PubChem CID 62777093) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
PubChem CID62777093
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
SMILESCC(C)CN1CCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-15(2)13-18-8-10-19(11-9-18)14-17(20)12-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGIBYRQAIFHYFQQ-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 81102981
1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
CID 62967368
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
1-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)propan-2-one;dihydrochloride
CID 70274690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one (CID 62777093) is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one is CC(C)CN1CCN(CC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one?
The InChIKey is GIBYRQAIFHYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15(2)13-18-8-10-19(11-9-18)14-17(20)12-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one?
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 62777093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).