1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine

C16H25FN2O — CID 102968801

IUPAC1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1N1CCCC(OC)C1
InChIInChI=1S/C16H25FN2O/c1-3-14(18)10-12-9-13(17)6-7-16(12)19-8-4-5-15(11-19)20-2/h6-7,9,14-15H,3-5,8,10-11,18H2,1-2H3
InChIKeyHWSVBDCPOAUZLR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.72
Rot. Bonds5

About 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 102968801) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
PubChem CID102968801
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1N1CCCC(OC)C1
InChIInChI=1S/C16H25FN2O/c1-3-14(18)10-12-9-13(17)6-7-16(12)19-8-4-5-15(11-19)20-2/h6-7,9,14-15H,3-5,8,10-11,18H2,1-2H3
InChIKeyHWSVBDCPOAUZLR-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968802
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
CID 102959097
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63815162
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine (CID 102968801) is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1N1CCCC(OC)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is HWSVBDCPOAUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-14(18)10-12-9-13(17)6-7-16(12)19-8-4-5-15(11-19)20-2/h6-7,9,14-15H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 102968801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).