2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C16H23FN2O2 — CID 63068169

IUPAC2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC(C)c1ccc(F)cc1O)C(=O)N1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)10-15(14)20)18-12(2)16(21)19-8-4-3-5-9-19/h6-7,10-12,18,20H,3-5,8-9H2,1-2H3
InChIKeyRHNQHPJYAQHQCX-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.58
Rot. Bonds4

About 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 63068169) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID63068169
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC(C)c1ccc(F)cc1O)C(=O)N1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)10-15(14)20)18-12(2)16(21)19-8-4-3-5-9-19/h6-7,10-12,18,20H,3-5,8-9H2,1-2H3
InChIKeyRHNQHPJYAQHQCX-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
CID 83007049
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8688227
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 63068169) is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is CC(NC(C)c1ccc(F)cc1O)C(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is RHNQHPJYAQHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)10-15(14)20)18-12(2)16(21)19-8-4-3-5-9-19/h6-7,10-12,18,20H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63068169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).