(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C17H19ClFN3O — CID 120731159

IUPAC(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1F.Cl
InChIInChI=1S/C17H18FN3O.ClH/c1-12-4-5-13(9-15(12)18)17(22)21-8-7-20-11-16(21)14-3-2-6-19-10-14;/h2-6,9-10,16,20H,7-8,11H2,1H3;1H
InChIKeyVIEFQQVFWHTNRX-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.74
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120731159) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120731159
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1F.Cl
InChIInChI=1S/C17H18FN3O.ClH/c1-12-4-5-13(9-15(12)18)17(22)21-8-7-20-11-16(21)14-3-2-6-19-10-14;/h2-6,9-10,16,20H,7-8,11H2,1H3;1H
InChIKeyVIEFQQVFWHTNRX-UHFFFAOYSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732506
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730315
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120731159) is (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1F.Cl.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is VIEFQQVFWHTNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O.ClH/c1-12-4-5-13(9-15(12)18)17(22)21-8-7-20-11-16(21)14-3-2-6-19-10-14;/h2-6,9-10,16,20H,7-8,11H2,1H3;1H.
What are the key properties of (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 335.81 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120731159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).