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

C14H21N3O2 — CID 103442256

IUPAC[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
SMILESCc1ccc(N2CCC(C)CC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-5-6-16(13(7-10)9-15)12-4-3-11(2)14(8-12)17(18)19/h3-4,8,10,13H,5-7,9,15H2,1-2H3
InChIKeyOQQMWDDAOGHRAZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds3

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

[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine (PubChem CID 103442256) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
PubChem CID103442256
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
SMILESCc1ccc(N2CCC(C)CC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-5-6-16(13(7-10)9-15)12-4-3-11(2)14(8-12)17(18)19/h3-4,8,10,13H,5-7,9,15H2,1-2H3
InChIKeyOQQMWDDAOGHRAZ-UHFFFAOYSA-N
XLogP2.47
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methyl-3-nitrophenyl)piperidin-2-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-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-nitrobenzamide
CID 103442356
[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
CID 103442244
[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
CID 103442387
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-chlorobenzonitrile
CID 103442451
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
1-[4-(2,4-dimethylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104529646
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162
[1-[(5-fluoro-2-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442070
[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 103441931

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine (CID 103442256) is [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine is Cc1ccc(N2CCC(C)CC2CN)cc1[N+](=O)[O-].
What is the InChIKey of [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine?
The InChIKey is OQQMWDDAOGHRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-6-16(13(7-10)9-15)12-4-3-11(2)14(8-12)17(18)19/h3-4,8,10,13H,5-7,9,15H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine?
[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103442256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).