2-(4-amino-3-fluoropiperidin-1-yl)ethanol

C7H15FN2O — CID 130022396

IUPAC2-(4-amino-3-fluoropiperidin-1-yl)ethanol
SMILESNC1CCN(CCO)CC1F
InChIInChI=1S/C7H15FN2O/c8-6-5-10(3-4-11)2-1-7(6)9/h6-7,11H,1-5,9H2
InChIKeyKBHLXOPYSULMLT-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.65
Rot. Bonds2

About 2-(4-amino-3-fluoropiperidin-1-yl)ethanol

2-(4-amino-3-fluoropiperidin-1-yl)ethanol (PubChem CID 130022396) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(4-amino-3-fluoropiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-fluoropiperidin-1-yl)ethanol
PubChem CID130022396
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name2-(4-amino-3-fluoropiperidin-1-yl)ethanol
SMILESNC1CCN(CCO)CC1F
InChIInChI=1S/C7H15FN2O/c8-6-5-10(3-4-11)2-1-7(6)9/h6-7,11H,1-5,9H2
InChIKeyKBHLXOPYSULMLT-UHFFFAOYSA-N
XLogP-0.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-3-fluoropiperidin-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluoropiperidin-1-yl)ethanol?
The IUPAC name of 2-(4-amino-3-fluoropiperidin-1-yl)ethanol (CID 130022396) is 2-(4-amino-3-fluoropiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-3-fluoropiperidin-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-3-fluoropiperidin-1-yl)ethanol is NC1CCN(CCO)CC1F.
What is the InChIKey of 2-(4-amino-3-fluoropiperidin-1-yl)ethanol?
The InChIKey is KBHLXOPYSULMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c8-6-5-10(3-4-11)2-1-7(6)9/h6-7,11H,1-5,9H2.
What are the key properties of 2-(4-amino-3-fluoropiperidin-1-yl)ethanol?
2-(4-amino-3-fluoropiperidin-1-yl)ethanol has a molecular weight of 162.21 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluoropiperidin-1-yl)ethanol is sourced from PubChem (CID 130022396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).