1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine

C15H23FN2O — CID 116951797

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
SMILESCNC(CC1CCNCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-15(19-2)13(16)10-12/h3-4,10-11,14,17-18H,5-9H2,1-2H3
InChIKeyYTRYAAIZOKAZQX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.48
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine (PubChem CID 116951797) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
PubChem CID116951797
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
SMILESCNC(CC1CCNCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-15(19-2)13(16)10-12/h3-4,10-11,14,17-18H,5-9H2,1-2H3
InChIKeyYTRYAAIZOKAZQX-UHFFFAOYSA-N
XLogP2.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
1-(2-fluoro-4-propan-2-ylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135279938
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine (CID 116951797) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine is CNC(CC1CCNCC1)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine?
The InChIKey is YTRYAAIZOKAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-15(19-2)13(16)10-12/h3-4,10-11,14,17-18H,5-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116951797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).