2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol

C13H19FN2O2 — CID 82695538

IUPAC2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
SMILESNc1c(F)cccc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H19FN2O2/c14-11-2-1-3-12(13(11)15)16-6-4-10(5-7-16)18-9-8-17/h1-3,10,17H,4-9,15H2
InChIKeyDHRAEOBTSXONSJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol

2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol (PubChem CID 82695538) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
PubChem CID82695538
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
SMILESNc1c(F)cccc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H19FN2O2/c14-11-2-1-3-12(13(11)15)16-6-4-10(5-7-16)18-9-8-17/h1-3,10,17H,4-9,15H2
InChIKeyDHRAEOBTSXONSJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
CID 82011421
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 60789324
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418
2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol
CID 82695711
4-amino-3-[4-(2-hydroxyethoxy)piperidin-1-yl]benzoic acid
CID 82796667
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
CID 136569056

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol (CID 82695538) is 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol is Nc1c(F)cccc1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol?
The InChIKey is DHRAEOBTSXONSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-11-2-1-3-12(13(11)15)16-6-4-10(5-7-16)18-9-8-17/h1-3,10,17H,4-9,15H2.
What are the key properties of 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol?
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol has a molecular weight of 254.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82695538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).