(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride

C11H16Cl3N3O — CID 155098558

IUPAC(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O.2ClH/c12-10-7-8(13)1-2-9(10)11(16)15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,13H2;2*1H
InChIKeyGWXUOCRNCWJVFJ-UHFFFAOYSA-N
MW312.63 g/mol
LogP1.81
Rot. Bonds1

About (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride

(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 155098558) has the molecular formula C11H16Cl3N3O and a molecular weight of 312.63 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
PubChem CID155098558
Molecular FormulaC11H16Cl3N3O
Molecular Weight312.63 g/mol
Exact Mass311.04
IUPAC Name(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O.2ClH/c12-10-7-8(13)1-2-9(10)11(16)15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,13H2;2*1H
InChIKeyGWXUOCRNCWJVFJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.63
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride (CID 155098558) is (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)N2CCNCC2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is GWXUOCRNCWJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O.2ClH/c12-10-7-8(13)1-2-9(10)11(16)15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,13H2;2*1H.
What are the key properties of (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride?
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 312.63 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 155098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).