1-methyl-2-nitropiperidine

C6H12N2O2 — CID 123214660

IUPAC1-methyl-2-nitropiperidine
SMILESCN1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-7-5-3-2-4-6(7)8(9)10/h6H,2-5H2,1H3
InChIKeyNCAGNRBCIXOXSW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.70
Rot. Bonds1

About 1-methyl-2-nitropiperidine

1-methyl-2-nitropiperidine (PubChem CID 123214660) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-methyl-2-nitropiperidine.

Molecular Properties

Compound Name1-methyl-2-nitropiperidine
PubChem CID123214660
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-methyl-2-nitropiperidine
SMILESCN1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-7-5-3-2-4-6(7)8(9)10/h6H,2-5H2,1H3
InChIKeyNCAGNRBCIXOXSW-UHFFFAOYSA-N
XLogP0.70
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitropiperidine?
The IUPAC name of 1-methyl-2-nitropiperidine (CID 123214660) is 1-methyl-2-nitropiperidine.
What is the SMILES notation for 1-methyl-2-nitropiperidine?
The canonical SMILES for 1-methyl-2-nitropiperidine is CN1CCCCC1[N+](=O)[O-].
What is the InChIKey of 1-methyl-2-nitropiperidine?
The InChIKey is NCAGNRBCIXOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-7-5-3-2-4-6(7)8(9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-2-nitropiperidine?
1-methyl-2-nitropiperidine has a molecular weight of 144.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitropiperidine is sourced from PubChem (CID 123214660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).