1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone

C15H22FN3O — CID 71010810

IUPAC1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
InChIInChI=1S/C15H22FN3O/c1-12-3-4-14(18-9-12)10-17-11-15(16)5-7-19(8-6-15)13(2)20/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyKCSJVWGOPBDJMK-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone

1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone (PubChem CID 71010810) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone
PubChem CID71010810
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
InChIInChI=1S/C15H22FN3O/c1-12-3-4-14(18-9-12)10-17-11-15(16)5-7-19(8-6-15)13(2)20/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyKCSJVWGOPBDJMK-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone (CID 71010810) is 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone?
The InChIKey is KCSJVWGOPBDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12-3-4-14(18-9-12)10-17-11-15(16)5-7-19(8-6-15)13(2)20/h3-4,9,17H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone?
1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone has a molecular weight of 279.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71010810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).