1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol

C12H17FN2O — CID 114677776

IUPAC1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2cc(F)ccc2N)CCC1O
InChIInChI=1S/C12H17FN2O/c1-8-7-15(5-4-12(8)16)11-6-9(13)2-3-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyKLBQHVYJXZIYSU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.62
Rot. Bonds1

About 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol

1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol (PubChem CID 114677776) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
PubChem CID114677776
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2cc(F)ccc2N)CCC1O
InChIInChI=1S/C12H17FN2O/c1-8-7-15(5-4-12(8)16)11-6-9(13)2-3-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyKLBQHVYJXZIYSU-UHFFFAOYSA-N
XLogP1.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol (CID 114677776) is 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol is CC1CN(c2cc(F)ccc2N)CCC1O.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol?
The InChIKey is KLBQHVYJXZIYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-7-15(5-4-12(8)16)11-6-9(13)2-3-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol?
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol has a molecular weight of 224.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).