1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol

C13H19FN2O — CID 78934869

IUPAC1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1
InChIKeyUWYZIMBQVUQYSP-BFHBGLAWSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds2

About 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol

1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol (PubChem CID 78934869) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
PubChem CID78934869
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1
InChIKeyUWYZIMBQVUQYSP-BFHBGLAWSA-N
XLogP1.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol (CID 78934869) is 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol is C[C@@H](N)c1ccc(N2CCCC(O)C2)c(F)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol?
The InChIKey is UWYZIMBQVUQYSP-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol?
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol has a molecular weight of 238.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol is sourced from PubChem (CID 78934869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).