N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine

C15H23N3O2 — CID 79716950

IUPACN-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)CC1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-17(12-14-6-9-16-10-7-14)11-8-13-2-4-15(5-3-13)18(19)20/h2-5,14,16H,6-12H2,1H3
InChIKeyKFWZTSMWKQPNJH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.07
Rot. Bonds6

About N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine

N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79716950) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79716950
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)CC1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-17(12-14-6-9-16-10-7-14)11-8-13-2-4-15(5-3-13)18(19)20/h2-5,14,16H,6-12H2,1H3
InChIKeyKFWZTSMWKQPNJH-UHFFFAOYSA-N
XLogP2.07
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.07
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-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine 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

N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
CID 60806659
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929870
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
(4-nitrophenyl)methyl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
CID 11098355
1-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-one
CID 90972444
N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
CID 142452006
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
N-[2-(4-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
CID 95627828

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 79716950) is N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine is CN(CCc1ccc([N+](=O)[O-])cc1)CC1CCNCC1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is KFWZTSMWKQPNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(12-14-6-9-16-10-7-14)11-8-13-2-4-15(5-3-13)18(19)20/h2-5,14,16H,6-12H2,1H3.
What are the key properties of N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79716950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).