2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone

C19H20N2O4 — CID 102143423

IUPAC2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1O)c1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-17-11-5-3-9-15(17)18(19(23)20-12-6-1-7-13-20)14-8-2-4-10-16(14)21(24)25/h2-5,8-11,18,22H,1,6-7,12-13H2
InChIKeyQKKZDIKTOTZEOZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone

2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone (PubChem CID 102143423) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone
PubChem CID102143423
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1O)c1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-17-11-5-3-9-15(17)18(19(23)20-12-6-1-7-13-20)14-8-2-4-10-16(14)21(24)25/h2-5,8-11,18,22H,1,6-7,12-13H2
InChIKeyQKKZDIKTOTZEOZ-UHFFFAOYSA-N
XLogP3.44
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)-2-(2-nitrophenyl)ethanone
CID 102143447
2-(2-nitrophenyl)sulfonyl-1,3-dipyrrolidin-1-ylpropane-1,3-dione
CID 15142116
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
2-(2-nitrophenyl)-2-piperidin-1-ylethanamine
CID 82041897
2-(2-nitrophenoxy)-1-[4-[2-(2-nitrophenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981274
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
azocan-1-yl-(3-hydroxy-4-nitrophenyl)methanone
CID 103604579

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone (CID 102143423) is 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone is O=C(C(c1ccccc1O)c1ccccc1[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone?
The InChIKey is QKKZDIKTOTZEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17-11-5-3-9-15(17)18(19(23)20-12-6-1-7-13-20)14-8-2-4-10-16(14)21(24)25/h2-5,8-11,18,22H,1,6-7,12-13H2.
What are the key properties of 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone?
2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone has a molecular weight of 340.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-(2-nitrophenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 102143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).