4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine

C11H16N4O2 — CID 104540859

IUPAC4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
SMILESCC1CCN(c2cccnc2[N+](=O)[O-])CC1N
InChIInChI=1S/C11H16N4O2/c1-8-4-6-14(7-9(8)12)10-3-2-5-13-11(10)15(16)17/h2-3,5,8-9H,4,6-7,12H2,1H3
InChIKeyQRVMTLYKHOIADU-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds2

About 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine

4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine (PubChem CID 104540859) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
PubChem CID104540859
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
SMILESCC1CCN(c2cccnc2[N+](=O)[O-])CC1N
InChIInChI=1S/C11H16N4O2/c1-8-4-6-14(7-9(8)12)10-3-2-5-13-11(10)15(16)17/h2-3,5,8-9H,4,6-7,12H2,1H3
InChIKeyQRVMTLYKHOIADU-UHFFFAOYSA-N
XLogP1.16
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
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-amine 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-yl]methanamine
CID 114961656
(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
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850
3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
CID 86811028
5-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 154772978
5-(3-methylpiperazin-1-yl)-8-nitroquinoline
CID 62479803
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
CID 114884842
4-methyl-1-(6-nitro-1,3-benzoxazol-2-yl)piperidin-3-amine
CID 79881220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine?
The IUPAC name of 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine (CID 104540859) is 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine?
The canonical SMILES for 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine is CC1CCN(c2cccnc2[N+](=O)[O-])CC1N.
What is the InChIKey of 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine?
The InChIKey is QRVMTLYKHOIADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-4-6-14(7-9(8)12)10-3-2-5-13-11(10)15(16)17/h2-3,5,8-9H,4,6-7,12H2,1H3.
What are the key properties of 4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine?
4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine has a molecular weight of 236.27 g/mol, XLogP of 1.16, 2 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-amine is sourced from PubChem (CID 104540859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).