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

C14H20ClN3O — CID 28933889

IUPAC4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2
InChIKeyJICOEPPCLCLOFH-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.73
Rot. Bonds4

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

4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one (PubChem CID 28933889) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
PubChem CID28933889
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2
InChIKeyJICOEPPCLCLOFH-UHFFFAOYSA-N
XLogP1.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
CID 119300386
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069399
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one (CID 28933889) is 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one?
The InChIKey is JICOEPPCLCLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2.
What are the key properties of 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one has a molecular weight of 281.79 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 28933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).