(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride

C11H13Cl3N2O — CID 119403001

IUPAC(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C11H12Cl2N2O.ClH/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15;/h1-3,14H,4-7H2;1H
InChIKeyMOBPYRYRPMWUDD-UHFFFAOYSA-N
MW295.60 g/mol
LogP2.46
Rot. Bonds1

About (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride

(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403001) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403001
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C11H12Cl2N2O.ClH/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15;/h1-3,14H,4-7H2;1H
InChIKeyMOBPYRYRPMWUDD-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

1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
(2,6-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6943179
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2,6-dichlorophenyl)methanone
CID 66212765
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
CID 119300386
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119403001) is (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1c(Cl)cccc1Cl)N1CCNCC1.
What is the InChIKey of (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is MOBPYRYRPMWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O.ClH/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15;/h1-3,14H,4-7H2;1H.
What are the key properties of (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride?
(2,6-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 (2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).