N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline

C14H21N3O2 — CID 62178934

IUPACN-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1CN1CCCCC1C
InChIInChI=1S/C14H21N3O2/c1-11-5-3-4-8-16(11)10-12-9-13(17(18)19)6-7-14(12)15-2/h6-7,9,11,15H,3-5,8,10H2,1-2H3
InChIKeyMNSLLMOTPFYPML-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline

N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline (PubChem CID 62178934) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline
PubChem CID62178934
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1CN1CCCCC1C
InChIInChI=1S/C14H21N3O2/c1-11-5-3-4-8-16(11)10-12-9-13(17(18)19)6-7-14(12)15-2/h6-7,9,11,15H,3-5,8,10H2,1-2H3
InChIKeyMNSLLMOTPFYPML-UHFFFAOYSA-N
XLogP3.01
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.01
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 N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline 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

2-[(2-methylpyrrolidin-1-yl)methyl]-4-nitro-N-propylaniline
CID 62177504
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperidine
CID 95910894
3-[1-[[2-(methylamino)-5-nitrophenyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479563
N-methyl-4-nitro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114596595
N-methyl-2-(2-methylpiperidin-1-yl)sulfonyl-4-nitroaniline
CID 62148963
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methyl-4-nitroaniline
CID 62932506
N-methyl-4-nitro-2-(thiomorpholin-4-ylmethyl)aniline
CID 62177535
[1-[[2-(ethylamino)-5-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208607
1-[[2-(methylamino)-5-nitrophenyl]methyl]azepan-2-one
CID 62208169
3,4-dimethyl-1-[[2-(methylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 79179379
N-methyl-2-(2-methylpiperidin-1-yl)sulfonyl-5-nitroaniline
CID 62148964
N-methyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-nitroaniline
CID 62208250

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline?
The IUPAC name of N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline (CID 62178934) is N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline.
What is the SMILES notation for N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline?
The canonical SMILES for N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline is CNc1ccc([N+](=O)[O-])cc1CN1CCCCC1C.
What is the InChIKey of N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline?
The InChIKey is MNSLLMOTPFYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-3-4-8-16(11)10-12-9-13(17(18)19)6-7-14(12)15-2/h6-7,9,11,15H,3-5,8,10H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline?
N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline has a molecular weight of 263.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpiperidin-1-yl)methyl]-4-nitroaniline is sourced from PubChem (CID 62178934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).