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

C19H24FN3 — CID 121413050

IUPAC1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1
InChIInChI=1S/C19H24FN3/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
InChIKeySYLSWCGHDXGVIF-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.29
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 121413050) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID121413050
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1
InChIInChI=1S/C19H24FN3/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
InChIKeySYLSWCGHDXGVIF-UHFFFAOYSA-N
XLogP3.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine (CID 121413050) is 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine is CC1(CNC(c2ccc(F)cc2)c2ccccn2)CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is SYLSWCGHDXGVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/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.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine?
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 313.42 g/mol, XLogP of 3.29, 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 is sourced from PubChem (CID 121413050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).