4-ethoxy-1-(2-nitrophenyl)piperidine

C13H18N2O3 — CID 133271369

IUPAC4-ethoxy-1-(2-nitrophenyl)piperidine
SMILESCCOC1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15(16)17/h3-6,11H,2,7-10H2,1H3
InChIKeyHNWBRTJCPOYMIK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.60
Rot. Bonds4

About 4-ethoxy-1-(2-nitrophenyl)piperidine

4-ethoxy-1-(2-nitrophenyl)piperidine (PubChem CID 133271369) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-ethoxy-1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-ethoxy-1-(2-nitrophenyl)piperidine
PubChem CID133271369
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-ethoxy-1-(2-nitrophenyl)piperidine
SMILESCCOC1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15(16)17/h3-6,11H,2,7-10H2,1H3
InChIKeyHNWBRTJCPOYMIK-UHFFFAOYSA-N
XLogP2.60
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.60
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'}

Analyze 4-ethoxy-1-(2-nitrophenyl)piperidine 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

[4-(4-ethoxypiperidin-1-yl)-3-nitrophenyl]-phenylmethanone
CID 133271350
4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine
CID 133391038
N-[1-(2-nitrophenyl)piperidin-4-yl]ethanesulfonamide
CID 78862241
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
1-[2-(chloromethyl)-4-nitrophenyl]-4-ethoxypiperidine
CID 61221110
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835597
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-ethoxypiperidine
CID 133271270
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80898026
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
4-nitro-3-[(4S)-4-propoxyazepan-1-yl]aniline
CID 124626175

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-nitrophenyl)piperidine?
The IUPAC name of 4-ethoxy-1-(2-nitrophenyl)piperidine (CID 133271369) is 4-ethoxy-1-(2-nitrophenyl)piperidine.
What is the SMILES notation for 4-ethoxy-1-(2-nitrophenyl)piperidine?
The canonical SMILES for 4-ethoxy-1-(2-nitrophenyl)piperidine is CCOC1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-ethoxy-1-(2-nitrophenyl)piperidine?
The InChIKey is HNWBRTJCPOYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15(16)17/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 4-ethoxy-1-(2-nitrophenyl)piperidine?
4-ethoxy-1-(2-nitrophenyl)piperidine has a molecular weight of 250.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 133271369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).