[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol

C13H19FN2O — CID 112645998

IUPAC[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
SMILESNc1cc(F)cc(CN2CCCCC2CO)c1
InChIInChI=1S/C13H19FN2O/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,13,17H,1-4,8-9,15H2
InChIKeyLCMUGIQWCMOHBC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.75
Rot. Bonds3

About [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol

[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 112645998) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
PubChem CID112645998
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
SMILESNc1cc(F)cc(CN2CCCCC2CO)c1
InChIInChI=1S/C13H19FN2O/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,13,17H,1-4,8-9,15H2
InChIKeyLCMUGIQWCMOHBC-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol
CID 217994
1-((3-Aminophenyl)methyl)piperidin-4-ol
CID 20121155
(2R,3R,4R)-1-[(4-aminophenyl)methyl]-2-(hydroxymethyl)piperidine-3,4-diol
CID 118986934
3-(Morpholin-4-ylmethyl)aniline
CID 1096406
(1-((3-Aminophenyl)methyl)piperidin-4-yl)methanol
CID 43133091
[(2S)-1-[(3,5-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 99621185
2-[4-(3-Trifluoromethyl-4-fluorophenyl)-piperazino]-ethanol
CID 3051839
2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]cyclohexan-1-ol
CID 3051847
[1-Benzyl-4-[3-(trifluoromethyl)anilino]piperidin-4-yl]methanol
CID 20382320
[1-Benzyl-4-(4-fluoroanilino)piperidin-4-yl]methanol
CID 20382370
[1-[(2-Fluoro-5-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 21584339
2-Amino-2-(4-fluoro-3-morpholin-4-ylphenyl)ethanol
CID 21864652

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol (CID 112645998) is [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol is Nc1cc(F)cc(CN2CCCCC2CO)c1.
What is the InChIKey of [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is LCMUGIQWCMOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,13,17H,1-4,8-9,15H2.
What are the key properties of [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol?
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 112645998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).