(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride

C10H14Cl3N3O — CID 119402073

IUPAC(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccncc1Cl)N1CCNCC1
InChIInChI=1S/C10H12ClN3O.2ClH/c11-9-7-13-2-1-8(9)10(15)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H
InChIKeyRRXGYASAPNSVBC-UHFFFAOYSA-N
MW298.60 g/mol
LogP1.62
Rot. Bonds1

About (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride

(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 119402073) has the molecular formula C10H14Cl3N3O and a molecular weight of 298.60 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
PubChem CID119402073
Molecular FormulaC10H14Cl3N3O
Molecular Weight298.60 g/mol
Exact Mass297.02
IUPAC Name(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccncc1Cl)N1CCNCC1
InChIInChI=1S/C10H12ClN3O.2ClH/c11-9-7-13-2-1-8(9)10(15)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H
InChIKeyRRXGYASAPNSVBC-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
3-[4-(3-chloropyridine-4-carbonyl)piperazin-1-yl]propanoic acid
CID 66462597
methyl 2-[4-(3-chloropyridine-4-carbonyl)piperazin-1-yl]acetate
CID 66482573
1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
2-[4-(3-chloropyridine-4-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 66462416
6-(3-chloropyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514677
(3-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 66483588
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride (CID 119402073) is (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride is Cl.Cl.O=C(c1ccncc1Cl)N1CCNCC1.
What is the InChIKey of (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is RRXGYASAPNSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O.2ClH/c11-9-7-13-2-1-8(9)10(15)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H.
What are the key properties of (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 298.60 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 119402073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).