1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone

C19H20N2O4 — CID 14649986

IUPAC1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4/c1-15(22)20-13-11-19(12-14-20,16-5-3-2-4-6-16)25-18-9-7-17(8-10-18)21(23)24/h2-10H,11-14H2,1H3
InChIKeyNAXSROUONCPOQE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.51
Rot. Bonds4

About 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone

1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone (PubChem CID 14649986) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
PubChem CID14649986
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4/c1-15(22)20-13-11-19(12-14-20,16-5-3-2-4-6-16)25-18-9-7-17(8-10-18)21(23)24/h2-10H,11-14H2,1H3
InChIKeyNAXSROUONCPOQE-UHFFFAOYSA-N
XLogP3.51
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
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

4-(4-nitrophenoxy)-4-phenyl-1-(3-phenylpropyl)piperidine
CID 20536583
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
3-(4-nitrophenoxy)-1-(2-phenoxyethyl)-3-phenylpyrrolidine
CID 121418520
3-(4-methyl-4-phenylpiperidine-1-carbonyl)-5-nitrobenzoic acid
CID 120549983
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate
CID 167316087
1-(4-methyl-6-nitro-4-phenyl-2,3-dihydroquinolin-1-yl)ethanone
CID 68676361
(2R)-2-methyl-2-(4-nitrophenoxy)oxirane
CID 141098468
1-(2-methoxy-5-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338263
(4-nitrophenyl) 4-phenylpiperazine-1-carboxylate
CID 59594481
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
sodium;hydrogen carbonate;(4-nitrophenyl) hydrogen carbonate
CID 67826864

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone (CID 14649986) is 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone?
The InChIKey is NAXSROUONCPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-15(22)20-13-11-19(12-14-20,16-5-3-2-4-6-16)25-18-9-7-17(8-10-18)21(23)24/h2-10H,11-14H2,1H3.
What are the key properties of 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone?
1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone has a molecular weight of 340.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 14649986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).