[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol

C12H17FN2O — CID 43590227

IUPAC[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
SMILESNc1cc(F)ccc1N1CCCC(CO)C1
InChIInChI=1S/C12H17FN2O/c13-10-3-4-12(11(14)6-10)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2
InChIKeyDQLDXKZWUDAKFC-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.62
Rot. Bonds2

About [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol

[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol (PubChem CID 43590227) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
PubChem CID43590227
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
SMILESNc1cc(F)ccc1N1CCCC(CO)C1
InChIInChI=1S/C12H17FN2O/c13-10-3-4-12(11(14)6-10)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2
InChIKeyDQLDXKZWUDAKFC-UHFFFAOYSA-N
XLogP1.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.62
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

[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
3-fluoro-4-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 43657969
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(3-ethylazetidin-1-yl)-5-fluoroaniline
CID 79689428
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
methyl 5-amino-2-[3-(hydroxymethyl)piperidin-1-yl]benzoate
CID 61311881
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol (CID 43590227) is [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol is Nc1cc(F)ccc1N1CCCC(CO)C1.
What is the InChIKey of [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol?
The InChIKey is DQLDXKZWUDAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-3-4-12(11(14)6-10)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2.
What are the key properties of [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol?
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 43590227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).