1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine

C19H23N3O3 — CID 133468927

IUPAC1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine
SMILESCCOc1cccc(N2CCC(Nc3ccccc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-2-25-18-10-6-9-17(19(18)22(23)24)21-13-11-16(12-14-21)20-15-7-4-3-5-8-15/h3-10,16,20H,2,11-14H2,1H3
InChIKeyWUFRJUKDHJEKQS-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.07
Rot. Bonds6

About 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine

1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine (PubChem CID 133468927) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine
PubChem CID133468927
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine
SMILESCCOc1cccc(N2CCC(Nc3ccccc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-2-25-18-10-6-9-17(19(18)22(23)24)21-13-11-16(12-14-21)20-15-7-4-3-5-8-15/h3-10,16,20H,2,11-14H2,1H3
InChIKeyWUFRJUKDHJEKQS-UHFFFAOYSA-N
XLogP4.07
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-ol
CID 113423410
1-[(3S)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-yl]-2,5-dihydropyrrole
CID 98291452
(3R)-1-(3-ethoxy-2-nitrophenyl)-3-methylpiperazine
CID 104976212
4-(3-ethoxy-2-nitrophenyl)-1-methylpiperazin-2-one
CID 91648240
5-[[4-(3-ethoxy-2-nitrophenyl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75522907
1-[1-(3-ethoxy-2-nitrophenyl)piperidin-3-yl]pyrrolidin-2-one
CID 84600030
1-[1-(3-ethoxy-2-nitrophenyl)pyrrolidin-2-yl]propan-2-ol
CID 75485013
8-(3-ethoxy-2-nitrophenyl)-5-oxa-8-azaspiro[3.5]nonane
CID 75522955
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
3-[4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-3-oxopropanoic acid
CID 141107685
(3S)-1-(2-nitro-3-propoxyphenyl)piperidin-3-ol
CID 107225458
(3R)-3-methyl-1-(2-nitro-3-propoxyphenyl)piperazine
CID 104976168

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine?
The IUPAC name of 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine (CID 133468927) is 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine is CCOc1cccc(N2CCC(Nc3ccccc3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine?
The InChIKey is WUFRJUKDHJEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18-10-6-9-17(19(18)22(23)24)21-13-11-16(12-14-21)20-15-7-4-3-5-8-15/h3-10,16,20H,2,11-14H2,1H3.
What are the key properties of 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine?
1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine is sourced from PubChem (CID 133468927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).