1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine

C16H25FN2 — CID 43284267

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1N1CC(C)CC(C)C1
InChIInChI=1S/C16H25FN2/c1-11-8-12(2)10-19(9-11)15-7-5-6-14(17)16(15)13(3)18-4/h5-7,11-13,18H,8-10H2,1-4H3
InChIKeyXZFKQWBABIVOEN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.59
Rot. Bonds3

About 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine

1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine (PubChem CID 43284267) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine
PubChem CID43284267
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1N1CC(C)CC(C)C1
InChIInChI=1S/C16H25FN2/c1-11-8-12(2)10-19(9-11)15-7-5-6-14(17)16(15)13(3)18-4/h5-7,11-13,18H,8-10H2,1-4H3
InChIKeyXZFKQWBABIVOEN-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]-N-methylethanamine
CID 63150495
1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097018
1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62199086
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 62351694
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646
1-[2-fluoro-6-(3-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 43285864
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 16782880
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine (CID 43284267) is 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1N1CC(C)CC(C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The InChIKey is XZFKQWBABIVOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-8-12(2)10-19(9-11)15-7-5-6-14(17)16(15)13(3)18-4/h5-7,11-13,18H,8-10H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine?
1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43284267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).