1-(nitromethyl)piperidine

C6H12N2O2 — CID 130683218

IUPAC1-(nitromethyl)piperidine
SMILESO=[N+]([O-])CN1CCCCC1
InChIInChI=1S/C6H12N2O2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H2
InChIKeyNUSQRNHVBIOSDF-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.71
Rot. Bonds2

About 1-(nitromethyl)piperidine

1-(nitromethyl)piperidine (PubChem CID 130683218) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(nitromethyl)piperidine.

Molecular Properties

Compound Name1-(nitromethyl)piperidine
PubChem CID130683218
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-(nitromethyl)piperidine
SMILESO=[N+]([O-])CN1CCCCC1
InChIInChI=1S/C6H12N2O2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H2
InChIKeyNUSQRNHVBIOSDF-UHFFFAOYSA-N
XLogP0.71
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.71
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-(nitromethyl)piperidine?
The IUPAC name of 1-(nitromethyl)piperidine (CID 130683218) is 1-(nitromethyl)piperidine.
What is the SMILES notation for 1-(nitromethyl)piperidine?
The canonical SMILES for 1-(nitromethyl)piperidine is O=[N+]([O-])CN1CCCCC1.
What is the InChIKey of 1-(nitromethyl)piperidine?
The InChIKey is NUSQRNHVBIOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H2.
What are the key properties of 1-(nitromethyl)piperidine?
1-(nitromethyl)piperidine has a molecular weight of 144.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nitromethyl)piperidine is sourced from PubChem (CID 130683218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).