[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride

C18H23Cl3N4O — CID 120738567

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
SMILESCN(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)ccn1.Cl.Cl
InChIInChI=1S/C18H21ClN4O.2ClH/c1-22(2)17-11-13(7-8-21-17)18(24)23-10-9-20-12-16(23)14-5-3-4-6-15(14)19;;/h3-8,11,16,20H,9-10,12H2,1-2H3;2*1H
InChIKeyJHEHBLURTPODJF-UHFFFAOYSA-N
MW417.77 g/mol
LogP3.43
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride

[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride (PubChem CID 120738567) has the molecular formula C18H23Cl3N4O and a molecular weight of 417.77 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
PubChem CID120738567
Molecular FormulaC18H23Cl3N4O
Molecular Weight417.77 g/mol
Exact Mass416.09
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
SMILESCN(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)ccn1.Cl.Cl
InChIInChI=1S/C18H21ClN4O.2ClH/c1-22(2)17-11-13(7-8-21-17)18(24)23-10-9-20-12-16(23)14-5-3-4-6-15(14)19;;/h3-8,11,16,20H,9-10,12H2,1-2H3;2*1H
InChIKeyJHEHBLURTPODJF-UHFFFAOYSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120738206
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120738645
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride (CID 120738567) is [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride is CN(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)ccn1.Cl.Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride?
The InChIKey is JHEHBLURTPODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O.2ClH/c1-22(2)17-11-13(7-8-21-17)18(24)23-10-9-20-12-16(23)14-5-3-4-6-15(14)19;;/h3-8,11,16,20H,9-10,12H2,1-2H3;2*1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride has a molecular weight of 417.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 120738567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).