1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride

C19H25ClFN3 — CID 121413049

IUPAC1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1.Cl
InChIInChI=1S/C19H24FN3.ClH/c1-19(9-12-21-13-10-19)14-23-18(17-4-2-3-11-22-17)15-5-7-16(20)8-6-15;/h2-8,11,18,21,23H,9-10,12-14H2,1H3;1H
InChIKeyFOQMEFPLLUDDBQ-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride

1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 121413049) has the molecular formula C19H25ClFN3 and a molecular weight of 349.88 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID121413049
Molecular FormulaC19H25ClFN3
Molecular Weight349.88 g/mol
Exact Mass349.17
IUPAC Name1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1.Cl
InChIInChI=1S/C19H24FN3.ClH/c1-19(9-12-21-13-10-19)14-23-18(17-4-2-3-11-22-17)15-5-7-16(20)8-6-15;/h2-8,11,18,21,23H,9-10,12-14H2,1H3;1H
InChIKeyFOQMEFPLLUDDBQ-UHFFFAOYSA-N
XLogP3.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 121413050
N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949345
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511
4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 145107639
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
2-bromoethoxybenzene;N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide;N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide
CID 160883805
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
3-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95327051
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 121413049) is 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride is CC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is FOQMEFPLLUDDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3.ClH/c1-19(9-12-21-13-10-19)14-23-18(17-4-2-3-11-22-17)15-5-7-16(20)8-6-15;/h2-8,11,18,21,23H,9-10,12-14H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 121413049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).