4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one

C14H18Cl2N2O — CID 83931253

IUPAC4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)2-1-3-14(19)18-8-6-17-7-9-18/h4-5,10,17H,1-3,6-9H2
InChIKeyOHTZBZSMHSGRBO-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.75
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one

4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83931253) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83931253
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)2-1-3-14(19)18-8-6-17-7-9-18/h4-5,10,17H,1-3,6-9H2
InChIKeyOHTZBZSMHSGRBO-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545173
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572031
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
4-(3,4-dichlorophenyl)butanamide
CID 47319689

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one (CID 83931253) is 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one is O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is OHTZBZSMHSGRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)2-1-3-14(19)18-8-6-17-7-9-18/h4-5,10,17H,1-3,6-9H2.
What are the key properties of 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one?
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 301.22 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83931253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).