(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride

C45H71Cl2N3O6 — CID 161209147

IUPAC(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
SMILESCOc1cc(C2CCC(C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@@H](C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@H](C)NC2)c(OC)cc1C.Cl.Cl
InChIInChI=1S/3C15H23NO2.2ClH/c3*1-10-7-15(18-4)13(8-14(10)17-3)12-6-5-11(2)16-9-12;;/h3*7-8,11-12,16H,5-6,9H2,1-4H3;2*1H/t11-,12+;11-,12-;;;/m01.../s1
InChIKeyFWAMTYLCKLHERE-XCTSTRPSSA-N
MW820.98 g/mol
LogP9.45
Rot. Bonds9

About (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride

(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride (PubChem CID 161209147) has the molecular formula C45H71Cl2N3O6 and a molecular weight of 820.98 g/mol. Its IUPAC name is (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride.

Molecular Properties

Compound Name(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
PubChem CID161209147
Molecular FormulaC45H71Cl2N3O6
Molecular Weight820.98 g/mol
Exact Mass819.47
IUPAC Name(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
SMILESCOc1cc(C2CCC(C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@@H](C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@H](C)NC2)c(OC)cc1C.Cl.Cl
InChIInChI=1S/3C15H23NO2.2ClH/c3*1-10-7-15(18-4)13(8-14(10)17-3)12-6-5-11(2)16-9-12;;/h3*7-8,11-12,16H,5-6,9H2,1-4H3;2*1H/t11-,12+;11-,12-;;;/m01.../s1
InChIKeyFWAMTYLCKLHERE-XCTSTRPSSA-N
XLogP9.45
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.98
LogP ≤ 59.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride with MolForge

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Related Compounds

2-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 64985243
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine
CID 159964703
(3S)-3-(2,5-dimethoxy-4-methylphenyl)-1-methylpiperidine;(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine;hydrochloride
CID 160731871
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
2-methyl-5-(2,4,5-trifluorophenyl)piperidine
CID 115503199
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
CID 116962660
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride?
The IUPAC name of (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride (CID 161209147) is (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride.
What is the SMILES notation for (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride?
The canonical SMILES for (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride is COc1cc(C2CCC(C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@@H](C)NC2)c(OC)cc1C.COc1cc([C@@H]2CC[C@H](C)NC2)c(OC)cc1C.Cl.Cl.
What is the InChIKey of (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride?
The InChIKey is FWAMTYLCKLHERE-XCTSTRPSSA-N. The full InChI is InChI=1S/3C15H23NO2.2ClH/c3*1-10-7-15(18-4)13(8-14(10)17-3)12-6-5-11(2)16-9-12;;/h3*7-8,11-12,16H,5-6,9H2,1-4H3;2*1H/t11-,12+;11-,12-;;;/m01.../s1.
What are the key properties of (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride?
(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride has a molecular weight of 820.98 g/mol, XLogP of 9.45, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride is sourced from PubChem (CID 161209147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).