1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine

C17H26ClNO — CID 82214719

IUPAC1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CC(Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H26ClNO/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12H2,1-3H3
InChIKeyQJILXGCUMHPPRC-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.55
Rot. Bonds5

About 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine

1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine (PubChem CID 82214719) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
PubChem CID82214719
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CC(Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H26ClNO/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12H2,1-3H3
InChIKeyQJILXGCUMHPPRC-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine 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-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
CID 82214723
2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
CID 82215107
(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95609211
1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
2-(2-ethylpiperidin-1-yl)-1-(4-methoxy-2,6-dimethylphenyl)ethanol
CID 82216974
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62579495
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine?
The IUPAC name of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine (CID 82214719) is 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine is CCC1CCCCN1CC(Cl)c1cc(C)ccc1OC.
What is the InChIKey of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine?
The InChIKey is QJILXGCUMHPPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine?
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine is sourced from PubChem (CID 82214719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).