[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine

C12H18N4O2 — CID 114961656

IUPAC[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine
SMILESCC1CCN(c2cccnc2[N+](=O)[O-])CC1CN
InChIInChI=1S/C12H18N4O2/c1-9-4-6-15(8-10(9)7-13)11-3-2-5-14-12(11)16(17)18/h2-3,5,9-10H,4,6-8,13H2,1H3
InChIKeyURODCLUICLNSSY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds3

About [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine

[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine (PubChem CID 114961656) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine
PubChem CID114961656
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine
SMILESCC1CCN(c2cccnc2[N+](=O)[O-])CC1CN
InChIInChI=1S/C12H18N4O2/c1-9-4-6-15(8-10(9)7-13)11-3-2-5-14-12(11)16(17)18/h2-3,5,9-10H,4,6-8,13H2,1H3
InChIKeyURODCLUICLNSSY-UHFFFAOYSA-N
XLogP1.41
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine 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-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
CID 104540859
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
(3S)-3-methyl-1-(2-nitro-3-pyridinyl)piperazine
CID 104977460
N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
CID 86811030
1-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
CID 104540847
N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
CID 104540865
[1-(2,6-dichloro-4-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 106891894
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
CID 86811028
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine (CID 114961656) is [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine is CC1CCN(c2cccnc2[N+](=O)[O-])CC1CN.
What is the InChIKey of [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine?
The InChIKey is URODCLUICLNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-4-6-15(8-10(9)7-13)11-3-2-5-14-12(11)16(17)18/h2-3,5,9-10H,4,6-8,13H2,1H3.
What are the key properties of [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine?
[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine has a molecular weight of 250.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).