1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one

C16H23ClN2O — CID 78782075

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-6-13(2)16(20)19-11-9-18(10-12-19)15-8-5-4-7-14(15)17/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyONWWPLYSHRSNPC-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 78782075) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
PubChem CID78782075
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-6-13(2)16(20)19-11-9-18(10-12-19)15-8-5-4-7-14(15)17/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyONWWPLYSHRSNPC-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 18545021
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62838032
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one (CID 78782075) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one is CCCC(C)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is ONWWPLYSHRSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-6-13(2)16(20)19-11-9-18(10-12-19)15-8-5-4-7-14(15)17/h4-5,7-8,13H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 78782075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).