(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine

C15H22N2O3 — CID 893227

IUPAC(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
SMILESCc1ccc(OCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-12-5-6-15(14(10-12)17(18)19)20-9-8-16-7-3-4-13(2)11-16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCJTKZIKEOLMTQQ-CYBMUJFWSA-N
MW278.35 g/mol
LogP3.01
Rot. Bonds5

About (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine

(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine (PubChem CID 893227) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
PubChem CID893227
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
SMILESCc1ccc(OCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-12-5-6-15(14(10-12)17(18)19)20-9-8-16-7-3-4-13(2)11-16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCJTKZIKEOLMTQQ-CYBMUJFWSA-N
XLogP3.01
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
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 (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine 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

3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046
4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 2995300
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
CID 119918903
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
CID 2297150
1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
CID 2935375
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
CID 56529290
1-[2-(4-methyl-2-nitrophenoxy)ethyl]triazole-4-carboxylic acid
CID 43351546
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-(4-bromobutoxy)-4-methyl-2-nitrobenzene
CID 61313190

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine (CID 893227) is (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine is Cc1ccc(OCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1.
What is the InChIKey of (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine?
The InChIKey is CJTKZIKEOLMTQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-5-6-15(14(10-12)17(18)19)20-9-8-16-7-3-4-13(2)11-16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine?
(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine has a molecular weight of 278.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 893227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).