1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol

C18H29NO2 — CID 114596228

IUPAC1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol
SMILESCCOc1ccc(C(O)CN2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H29NO2/c1-5-21-17-8-6-16(7-9-17)18(20)12-19-11-13(2)10-14(3)15(19)4/h6-9,13-15,18,20H,5,10-12H2,1-4H3
InChIKeyGEPUCDWRRCBSTJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol

1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol (PubChem CID 114596228) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol
PubChem CID114596228
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol
SMILESCCOc1ccc(C(O)CN2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H29NO2/c1-5-21-17-8-6-16(7-9-17)18(20)12-19-11-13(2)10-14(3)15(19)4/h6-9,13-15,18,20H,5,10-12H2,1-4H3
InChIKeyGEPUCDWRRCBSTJ-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596868
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
1-(aziridin-1-yl)-4-(4-ethoxyphenyl)-4-hydroxybutan-1-one
CID 112510367
2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82216418

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol (CID 114596228) is 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol is CCOc1ccc(C(O)CN2CC(C)CC(C)C2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol?
The InChIKey is GEPUCDWRRCBSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-21-17-8-6-16(7-9-17)18(20)12-19-11-13(2)10-14(3)15(19)4/h6-9,13-15,18,20H,5,10-12H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol?
1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 114596228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).