4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol

C17H19FN2O2 — CID 67421967

IUPAC4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol
SMILESNc1cc(F)ccc1N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C17H19FN2O2/c18-12-1-4-16(15(19)9-12)20-7-5-11(6-8-20)14-3-2-13(21)10-17(14)22/h1-4,9-11,21-22H,5-8,19H2
InChIKeyRWRZQBIJLKVSCR-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.20
Rot. Bonds2

About 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol

4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol (PubChem CID 67421967) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol
PubChem CID67421967
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol
SMILESNc1cc(F)ccc1N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C17H19FN2O2/c18-12-1-4-16(15(19)9-12)20-7-5-11(6-8-20)14-3-2-13(21)10-17(14)22/h1-4,9-11,21-22H,5-8,19H2
InChIKeyRWRZQBIJLKVSCR-UHFFFAOYSA-N
XLogP3.20
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol (CID 67421967) is 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol is Nc1cc(F)ccc1N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol?
The InChIKey is RWRZQBIJLKVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-12-1-4-16(15(19)9-12)20-7-5-11(6-8-20)14-3-2-13(21)10-17(14)22/h1-4,9-11,21-22H,5-8,19H2.
What are the key properties of 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol?
4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol has a molecular weight of 302.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-amino-4-fluorophenyl)piperidin-4-yl]benzene-1,3-diol is sourced from PubChem (CID 67421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).