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

C16H23ClN2O — CID 90253989

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBVUCZGCKILUGON-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.42
Rot. Bonds4

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 90253989) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID90253989
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBVUCZGCKILUGON-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-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one
CID 133270310
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
CID 172566025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one (CID 90253989) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is BVUCZGCKILUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one?
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-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-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 90253989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).