1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride

C22H29ClFN3O — CID 159206943

IUPAC1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride
SMILESCCCN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)n2)CC1.Cl
InChIInChI=1S/C22H28FN3O.ClH/c1-3-13-26-14-11-20(12-15-26)25(2)22-6-4-5-19(24-22)16-21(27)17-7-9-18(23)10-8-17;/h4-10,20H,3,11-16H2,1-2H3;1H
InChIKeyAVACGDBLCRCMDP-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.38
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride

1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride (PubChem CID 159206943) has the molecular formula C22H29ClFN3O and a molecular weight of 405.95 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride
PubChem CID159206943
Molecular FormulaC22H29ClFN3O
Molecular Weight405.95 g/mol
Exact Mass405.20
IUPAC Name1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride
SMILESCCCN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)n2)CC1.Cl
InChIInChI=1S/C22H28FN3O.ClH/c1-3-13-26-14-11-20(12-15-26)25(2)22-6-4-5-19(24-22)16-21(27)17-7-9-18(23)10-8-17;/h4-10,20H,3,11-16H2,1-2H3;1H
InChIKeyAVACGDBLCRCMDP-UHFFFAOYSA-N
XLogP4.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride (CID 159206943) is 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride is CCCN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)n2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride?
The InChIKey is AVACGDBLCRCMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O.ClH/c1-3-13-26-14-11-20(12-15-26)25(2)22-6-4-5-19(24-22)16-21(27)17-7-9-18(23)10-8-17;/h4-10,20H,3,11-16H2,1-2H3;1H.
What are the key properties of 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride?
1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-[methyl-(1-propylpiperidin-4-yl)amino]-2-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 159206943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).