1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol

C16H25NO2 — CID 82122257

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
SMILESCOc1cc(C)c(C)cc1C(O)CN1CCCCC1
InChIInChI=1S/C16H25NO2/c1-12-9-14(16(19-3)10-13(12)2)15(18)11-17-7-5-4-6-8-17/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeySVTGTJVUIBMYDO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol

1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol (PubChem CID 82122257) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
PubChem CID82122257
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
SMILESCOc1cc(C)c(C)cc1C(O)CN1CCCCC1
InChIInChI=1S/C16H25NO2/c1-12-9-14(16(19-3)10-13(12)2)15(18)11-17-7-5-4-6-8-17/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeySVTGTJVUIBMYDO-UHFFFAOYSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-4-ylethanol
CID 82122625
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
1-(4-methoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82216996
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
CID 22401530
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 82113342
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol (CID 82122257) is 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol is COc1cc(C)c(C)cc1C(O)CN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol?
The InChIKey is SVTGTJVUIBMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-9-14(16(19-3)10-13(12)2)15(18)11-17-7-5-4-6-8-17/h9-10,15,18H,4-8,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol?
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol has a molecular weight of 263.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 82122257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).