1-methyl-4-(nitromethyl)piperidine

C7H14N2O2 — CID 82415768

IUPAC1-methyl-4-(nitromethyl)piperidine
SMILESCN1CCC(C[N+](=O)[O-])CC1
InChIInChI=1S/C7H14N2O2/c1-8-4-2-7(3-5-8)6-9(10)11/h7H,2-6H2,1H3
InChIKeyVAIPJTHYTSAIIW-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds2

About 1-methyl-4-(nitromethyl)piperidine

1-methyl-4-(nitromethyl)piperidine (PubChem CID 82415768) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-4-(nitromethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(nitromethyl)piperidine
PubChem CID82415768
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-methyl-4-(nitromethyl)piperidine
SMILESCN1CCC(C[N+](=O)[O-])CC1
InChIInChI=1S/C7H14N2O2/c1-8-4-2-7(3-5-8)6-9(10)11/h7H,2-6H2,1H3
InChIKeyVAIPJTHYTSAIIW-UHFFFAOYSA-N
XLogP0.60
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
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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Related Compounds

1-methyl-3-propylpyrrolidine;nitric acid
CID 175244949
1-methylpiperidin-4-ol;nitric acid
CID 69230508
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(nitromethyl)piperidine?
The IUPAC name of 1-methyl-4-(nitromethyl)piperidine (CID 82415768) is 1-methyl-4-(nitromethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(nitromethyl)piperidine?
The canonical SMILES for 1-methyl-4-(nitromethyl)piperidine is CN1CCC(C[N+](=O)[O-])CC1.
What is the InChIKey of 1-methyl-4-(nitromethyl)piperidine?
The InChIKey is VAIPJTHYTSAIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-4-2-7(3-5-8)6-9(10)11/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-4-(nitromethyl)piperidine?
1-methyl-4-(nitromethyl)piperidine has a molecular weight of 158.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(nitromethyl)piperidine is sourced from PubChem (CID 82415768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).