1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol

C16H25NO3 — CID 116685577

IUPAC1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCOc1ccc(C(O)CC2CCCC(C)N2)cc1OC
InChIInChI=1S/C16H25NO3/c1-11-5-4-6-13(17-11)10-14(18)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,17-18H,4-6,10H2,1-3H3
InChIKeyFPSQLLBBDNRMHN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.66
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol

1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol (PubChem CID 116685577) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
PubChem CID116685577
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCOc1ccc(C(O)CC2CCCC(C)N2)cc1OC
InChIInChI=1S/C16H25NO3/c1-11-5-4-6-13(17-11)10-14(18)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,17-18H,4-6,10H2,1-3H3
InChIKeyFPSQLLBBDNRMHN-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-(6-methylpiperidin-2-yl)ethanol
CID 116685580
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
CID 81466199
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol (CID 116685577) is 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol is COc1ccc(C(O)CC2CCCC(C)N2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The InChIKey is FPSQLLBBDNRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-5-4-6-13(17-11)10-14(18)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,17-18H,4-6,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol?
1-(3,4-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-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).