1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol

C14H21FN2O — CID 102958910

IUPAC1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(F)cc2[C@H](C)N)CC1O
InChIInChI=1S/C14H21FN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m0/s1
InChIKeyORTFCGAZXSAIER-XIRUVYRFSA-N
MW252.33 g/mol
LogP2.05
Rot. Bonds2

About 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol

1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol (PubChem CID 102958910) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
PubChem CID102958910
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(F)cc2[C@H](C)N)CC1O
InChIInChI=1S/C14H21FN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m0/s1
InChIKeyORTFCGAZXSAIER-XIRUVYRFSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol (CID 102958910) is 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol is CC1CCN(c2ccc(F)cc2[C@H](C)N)CC1O.
What is the InChIKey of 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol?
The InChIKey is ORTFCGAZXSAIER-XIRUVYRFSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol?
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).