1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one

C18H28N2O — CID 82250334

IUPAC1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(c2ccccc2)NCC1CC(C)C
InChIInChI=1S/C18H28N2O/c1-4-8-18(21)20-13-17(15-9-6-5-7-10-15)19-12-16(20)11-14(2)3/h5-7,9-10,14,16-17,19H,4,8,11-13H2,1-3H3
InChIKeyWDYOYMGMIHQQLM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one

1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one (PubChem CID 82250334) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one
PubChem CID82250334
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(c2ccccc2)NCC1CC(C)C
InChIInChI=1S/C18H28N2O/c1-4-8-18(21)20-13-17(15-9-6-5-7-10-15)19-12-16(20)11-14(2)3/h5-7,9-10,14,16-17,19H,4,8,11-13H2,1-3H3
InChIKeyWDYOYMGMIHQQLM-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
1-cyclopentyl-2-(2-methylpropyl)-5-phenylpiperazine
CID 82923611
1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
CID 81113963
1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 82245316
1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 82243729
N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82248277
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246030
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one (CID 82250334) is 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one is CCCC(=O)N1CC(c2ccccc2)NCC1CC(C)C.
What is the InChIKey of 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one?
The InChIKey is WDYOYMGMIHQQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-18(21)20-13-17(15-9-6-5-7-10-15)19-12-16(20)11-14(2)3/h5-7,9-10,14,16-17,19H,4,8,11-13H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one?
1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 82250334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).