(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine

C15H23FN2O — CID 106587289

IUPAC(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCCN(c2ccc(F)cc2[C@@H](C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)14-8-13(16)5-6-15(14)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyKJVNQTVPPSFARP-JHJMLUEUSA-N
MW266.36 g/mol
LogP2.71
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine

(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine (PubChem CID 106587289) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
PubChem CID106587289
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCCN(c2ccc(F)cc2[C@@H](C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)14-8-13(16)5-6-15(14)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyKJVNQTVPPSFARP-JHJMLUEUSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine (CID 106587289) is (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine is COCC1CCCN(c2ccc(F)cc2[C@@H](C)N)C1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The InChIKey is KJVNQTVPPSFARP-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)14-8-13(16)5-6-15(14)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 106587289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).