(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride

C11H13Cl3N2O — CID 119400113

IUPAC(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12Cl2N2O.ClH/c12-9-2-1-8(7-10(9)13)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H
InChIKeyCVMWIVWISLIQHC-UHFFFAOYSA-N
MW295.60 g/mol
LogP2.46
Rot. Bonds1

About (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride

(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400113) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400113
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12Cl2N2O.ClH/c12-9-2-1-8(7-10(9)13)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H
InChIKeyCVMWIVWISLIQHC-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119400113) is (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is CVMWIVWISLIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O.ClH/c12-9-2-1-8(7-10(9)13)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H.
What are the key properties of (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 295.60 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).