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

C12H17FN2O — CID 61406809

IUPAC[1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol
SMILESNc1cc(F)ccc1N1CCCCC1CO
InChIInChI=1S/C12H17FN2O/c13-9-4-5-12(11(14)7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2
InChIKeyGQXCFMMYPPPKHS-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.76
Rot. Bonds2

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

[1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol (PubChem CID 61406809) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol
PubChem CID61406809
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol
SMILESNc1cc(F)ccc1N1CCCCC1CO
InChIInChI=1S/C12H17FN2O/c13-9-4-5-12(11(14)7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2
InChIKeyGQXCFMMYPPPKHS-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol (CID 61406809) is [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol is Nc1cc(F)ccc1N1CCCCC1CO.
What is the InChIKey of [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol?
The InChIKey is GQXCFMMYPPPKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-9-4-5-12(11(14)7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2.
What are the key properties of [1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol?
[1-(2-amino-4-fluorophenyl)piperidin-2-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.76, 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-2-yl]methanol is sourced from PubChem (CID 61406809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).