N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine

C14H21N3O2 — CID 119923248

IUPACN-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-13-7-10-16(11-8-13)9-6-12-2-4-14(5-3-12)17(18)19/h2-5,13,15H,6-11H2,1H3
InChIKeyBVXQFQMLWCKECV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine

N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine (PubChem CID 119923248) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
PubChem CID119923248
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-13-7-10-16(11-8-13)9-6-12-2-4-14(5-3-12)17(18)19/h2-5,13,15H,6-11H2,1H3
InChIKeyBVXQFQMLWCKECV-UHFFFAOYSA-N
XLogP1.82
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
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-1-[2-(4-nitrophenyl)ethyl]piperidin-4-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

1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
1-[2-(4-nitrophenyl)ethyl]piperidine-4-carbonitrile
CID 48939342
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
azepan-1-yl-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methanone
CID 55828744
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 119562587
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine
CID 25223383
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine (CID 119923248) is N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine is CNC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The InChIKey is BVXQFQMLWCKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-13-7-10-16(11-8-13)9-6-12-2-4-14(5-3-12)17(18)19/h2-5,13,15H,6-11H2,1H3.
What are the key properties of N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 119923248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).