4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one

C14H19ClN2O — CID 83924216

IUPAC4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2O/c15-13-6-2-1-4-12(13)5-3-7-14(18)17-10-8-16-9-11-17/h1-2,4,6,16H,3,5,7-11H2
InChIKeyAOLWZLMJUXSAMT-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.09
Rot. Bonds4

About 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one

4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83924216) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83924216
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2O/c15-13-6-2-1-4-12(13)5-3-7-14(18)17-10-8-16-9-11-17/h1-2,4,6,16H,3,5,7-11H2
InChIKeyAOLWZLMJUXSAMT-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
CID 110409909
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
CID 110423196
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
4-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83931484
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one (CID 83924216) is 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one is O=C(CCCc1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is AOLWZLMJUXSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-6-2-1-4-12(13)5-3-7-14(18)17-10-8-16-9-11-17/h1-2,4,6,16H,3,5,7-11H2.
What are the key properties of 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one?
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 266.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83924216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).