(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C16H16ClF2N3O — CID 120729758

IUPAC(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H15F2N3O.ClH/c17-12-3-4-13(14(18)8-12)16(22)21-7-6-20-10-15(21)11-2-1-5-19-9-11;/h1-5,8-9,15,20H,6-7,10H2;1H
InChIKeyOYQKAYSLOMGBDE-UHFFFAOYSA-N
MW339.77 g/mol
LogP2.57
Rot. Bonds2

About (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120729758) has the molecular formula C16H16ClF2N3O and a molecular weight of 339.77 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120729758
Molecular FormulaC16H16ClF2N3O
Molecular Weight339.77 g/mol
Exact Mass339.09
IUPAC Name(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H15F2N3O.ClH/c17-12-3-4-13(14(18)8-12)16(22)21-7-6-20-10-15(21)11-2-1-5-19-9-11;/h1-5,8-9,15,20H,6-7,10H2;1H
InChIKeyOYQKAYSLOMGBDE-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(2-cyclopropyl-6-fluoroquinolin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730275
2,4-difluoro-N-[4-oxo-4-(2-pyridin-3-ylpiperazin-1-yl)butyl]benzamide
CID 120732163
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731504
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120729758) is (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1F)N1CCNCC1c1cccnc1.
What is the InChIKey of (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is OYQKAYSLOMGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O.ClH/c17-12-3-4-13(14(18)8-12)16(22)21-7-6-20-10-15(21)11-2-1-5-19-9-11;/h1-5,8-9,15,20H,6-7,10H2;1H.
What are the key properties of (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 339.77 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120729758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).