3-ethyl-1-nitropiperidine

C7H14N2O2 — CID 89414391

IUPAC3-ethyl-1-nitropiperidine
SMILESCCC1CCCN([N+](=O)[O-])C1
InChIInChI=1S/C7H14N2O2/c1-2-7-4-3-5-8(6-7)9(10)11/h7H,2-6H2,1H3
InChIKeyUVWHOIRVHKQBLD-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds2

About 3-ethyl-1-nitropiperidine

3-ethyl-1-nitropiperidine (PubChem CID 89414391) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-ethyl-1-nitropiperidine.

Molecular Properties

Compound Name3-ethyl-1-nitropiperidine
PubChem CID89414391
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-ethyl-1-nitropiperidine
SMILESCCC1CCCN([N+](=O)[O-])C1
InChIInChI=1S/C7H14N2O2/c1-2-7-4-3-5-8(6-7)9(10)11/h7H,2-6H2,1H3
InChIKeyUVWHOIRVHKQBLD-UHFFFAOYSA-N
XLogP1.30
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-nitropiperidine?
The IUPAC name of 3-ethyl-1-nitropiperidine (CID 89414391) is 3-ethyl-1-nitropiperidine.
What is the SMILES notation for 3-ethyl-1-nitropiperidine?
The canonical SMILES for 3-ethyl-1-nitropiperidine is CCC1CCCN([N+](=O)[O-])C1.
What is the InChIKey of 3-ethyl-1-nitropiperidine?
The InChIKey is UVWHOIRVHKQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-7-4-3-5-8(6-7)9(10)11/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-nitropiperidine?
3-ethyl-1-nitropiperidine has a molecular weight of 158.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-nitropiperidine is sourced from PubChem (CID 89414391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).