(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine

C26H37NO2 — CID 145047282

IUPAC(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine
SMILESCCc1ccc(OC)cc1C1(CCOCc2ccccc2)CCN(C)C(C)[C@@H]1C
InChIInChI=1S/C26H37NO2/c1-6-23-12-13-24(28-5)18-25(23)26(14-16-27(4)21(3)20(26)2)15-17-29-19-22-10-8-7-9-11-22/h7-13,18,20-21H,6,14-17,19H2,1-5H3/t20-,21?,26?/m0/s1
InChIKeyFEXQWLIMMZANEH-XHHNVCIESA-N
MW395.59 g/mol
LogP5.46
Rot. Bonds8

About (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine

(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine (PubChem CID 145047282) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine.

Molecular Properties

Compound Name(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine
PubChem CID145047282
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine
SMILESCCc1ccc(OC)cc1C1(CCOCc2ccccc2)CCN(C)C(C)[C@@H]1C
InChIInChI=1S/C26H37NO2/c1-6-23-12-13-24(28-5)18-25(23)26(14-16-27(4)21(3)20(26)2)15-17-29-19-22-10-8-7-9-11-22/h7-13,18,20-21H,6,14-17,19H2,1-5H3/t20-,21?,26?/m0/s1
InChIKeyFEXQWLIMMZANEH-XHHNVCIESA-N
XLogP5.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
CID 144978602
2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
CID 144978621
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
tert-butyl (1R,9S,10S)-6-methoxy-12-oxo-9-(2-phenylmethoxyethyl)-2-azatetracyclo[7.5.0.01,10.03,8]tetradeca-3(8),4,6-triene-2-carboxylate
CID 102223717
(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 53467928
(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
CID 144623402
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-4-(2-ethyl-5-methoxyphenyl)-1,2,4-trimethylpiperidin-3-yl]-1-methylurea
CID 144958095
(4aR,9aS)-4a-ethyl-6-methoxy-2-(2-phenylethyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine
CID 14570204
(1S,13R)-1,13-diethyl-4-methoxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90679103
(2S)-N-[2-[(1S,9R,13R)-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 118972899
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine?
The IUPAC name of (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine (CID 145047282) is (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine.
What is the SMILES notation for (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine?
The canonical SMILES for (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine is CCc1ccc(OC)cc1C1(CCOCc2ccccc2)CCN(C)C(C)[C@@H]1C.
What is the InChIKey of (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine?
The InChIKey is FEXQWLIMMZANEH-XHHNVCIESA-N. The full InChI is InChI=1S/C26H37NO2/c1-6-23-12-13-24(28-5)18-25(23)26(14-16-27(4)21(3)20(26)2)15-17-29-19-22-10-8-7-9-11-22/h7-13,18,20-21H,6,14-17,19H2,1-5H3/t20-,21?,26?/m0/s1.
What are the key properties of (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine?
(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine has a molecular weight of 395.59 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine is sourced from PubChem (CID 145047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).