2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol

C15H23FN2O2 — CID 82691104

IUPAC2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
SMILESC[C@@H](N)c1ccc(N2CCC(OCCO)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(17)12-2-3-15(14(16)10-12)18-6-4-13(5-7-18)20-9-8-19/h2-3,10-11,13,19H,4-9,17H2,1H3/t11-/m1/s1
InChIKeyZRXWCKFJIRKCLX-LLVKDONJSA-N
MW282.36 g/mol
LogP1.82
Rot. Bonds5

About 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol

2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol (PubChem CID 82691104) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
PubChem CID82691104
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
SMILESC[C@@H](N)c1ccc(N2CCC(OCCO)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(17)12-2-3-15(14(16)10-12)18-6-4-13(5-7-18)20-9-8-19/h2-3,10-11,13,19H,4-9,17H2,1H3/t11-/m1/s1
InChIKeyZRXWCKFJIRKCLX-LLVKDONJSA-N
XLogP1.82
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
ethyl 4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperazine-1-carboxylate
CID 107877088
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol (CID 82691104) is 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol is C[C@@H](N)c1ccc(N2CCC(OCCO)CC2)c(F)c1.
What is the InChIKey of 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol?
The InChIKey is ZRXWCKFJIRKCLX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(17)12-2-3-15(14(16)10-12)18-6-4-13(5-7-18)20-9-8-19/h2-3,10-11,13,19H,4-9,17H2,1H3/t11-/m1/s1.
What are the key properties of 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol?
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol has a molecular weight of 282.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).