(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol

C15H23NO3 — CID 164959425

IUPAC(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol
SMILESCOc1cc(C)c(C2CCN(C)C[C@H]2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-7-11(18-3)8-14(19-4)15(10)12-5-6-16(2)9-13(12)17/h7-8,12-13,17H,5-6,9H2,1-4H3/t12?,13-/m1/s1
InChIKeyLNRRBXUCZQYGKO-ZGTCLIOFSA-N
MW265.35 g/mol
LogP1.79
Rot. Bonds3

About (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol

(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol (PubChem CID 164959425) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol
PubChem CID164959425
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol
SMILESCOc1cc(C)c(C2CCN(C)C[C@H]2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-7-11(18-3)8-14(19-4)15(10)12-5-6-16(2)9-13(12)17/h7-8,12-13,17H,5-6,9H2,1-4H3/t12?,13-/m1/s1
InChIKeyLNRRBXUCZQYGKO-ZGTCLIOFSA-N
XLogP1.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-[(3S)-3-hydroxy-1-methylpiperidin-4-yl]-6-methoxy-4-methylphenyl]ethanone
CID 164959426
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;(3S,4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol;(4R)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-one;hydroiodide
CID 165001959
8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxy-2-sulfanylchromen-4-one
CID 10594085
(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
CID 13186898
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
2-[(2-chlorophenyl)methylidene]-7-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxy-1-benzofuran-3-one
CID 137375467
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone
CID 153379569
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
2-(1,2-dimethyl-2-sulfanylpyrrolidin-3-yl)-3,5-dimethoxyphenol
CID 123741148

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol?
The IUPAC name of (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol (CID 164959425) is (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol?
The canonical SMILES for (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol is COc1cc(C)c(C2CCN(C)C[C@H]2O)c(OC)c1.
What is the InChIKey of (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol?
The InChIKey is LNRRBXUCZQYGKO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-11(18-3)8-14(19-4)15(10)12-5-6-16(2)9-13(12)17/h7-8,12-13,17H,5-6,9H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol?
(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 164959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).