1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol

C16H25NO3 — CID 116685580

IUPAC1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)CC2CCCC(C)N2)c1
InChIInChI=1S/C16H25NO3/c1-11-5-4-6-12(17-11)9-15(18)14-10-13(19-2)7-8-16(14)20-3/h7-8,10-12,15,17-18H,4-6,9H2,1-3H3
InChIKeyQRTSYYPTPCAUSY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol

1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol (PubChem CID 116685580) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
PubChem CID116685580
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)CC2CCCC(C)N2)c1
InChIInChI=1S/C16H25NO3/c1-11-5-4-6-12(17-11)9-15(18)14-10-13(19-2)7-8-16(14)20-3/h7-8,10-12,15,17-18H,4-6,9H2,1-3H3
InChIKeyQRTSYYPTPCAUSY-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685577
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943
1-(2,5-dimethoxyphenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanol
CID 62332362
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol (CID 116685580) is 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol is COc1ccc(OC)c(C(O)CC2CCCC(C)N2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The InChIKey is QRTSYYPTPCAUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-5-4-6-12(17-11)9-15(18)14-10-13(19-2)7-8-16(14)20-3/h7-8,10-12,15,17-18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).