[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride

C17H21Cl2N3O2 — CID 120732780

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-22-16-7-3-2-6-14(16)15-12-19-9-10-20(15)17(21)13-5-4-8-18-11-13;;/h2-8,11,15,19H,9-10,12H2,1H3;2*1H
InChIKeyPXRVFSWJLQBDDD-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.72
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride (PubChem CID 120732780) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
PubChem CID120732780
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-22-16-7-3-2-6-14(16)15-12-19-9-10-20(15)17(21)13-5-4-8-18-11-13;;/h2-8,11,15,19H,9-10,12H2,1H3;2*1H
InChIKeyPXRVFSWJLQBDDD-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 120733367
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
(3-aminopyrazin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120735210
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136575807
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
imidazo[1,2-a]pyridin-6-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735170
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride (CID 120732780) is [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The InChIKey is PXRVFSWJLQBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c1-22-16-7-3-2-6-14(16)15-12-19-9-10-20(15)17(21)13-5-4-8-18-11-13;;/h2-8,11,15,19H,9-10,12H2,1H3;2*1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 120732780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).