2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol

C16H25NO — CID 114425978

IUPAC2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
SMILESCCC1CCNC(CC(O)c2cccc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-3-13-7-8-17-15(10-13)11-16(18)14-6-4-5-12(2)9-14/h4-6,9,13,15-18H,3,7-8,10-11H2,1-2H3
InChIKeyMEAVGHLAJOOYKP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol

2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol (PubChem CID 114425978) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
PubChem CID114425978
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
SMILESCCC1CCNC(CC(O)c2cccc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-3-13-7-8-17-15(10-13)11-16(18)14-6-4-5-12(2)9-14/h4-6,9,13,15-18H,3,7-8,10-11H2,1-2H3
InChIKeyMEAVGHLAJOOYKP-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-Ephedrine hydrochloride
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(-)-Pseudoephedrine
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d-Ephedrine
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4-Phenylpiperidin-4-ol
CID 96387
Lobelanidine
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alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
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CID 71290

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol (CID 114425978) is 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol is CCC1CCNC(CC(O)c2cccc(C)c2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is MEAVGHLAJOOYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-7-8-17-15(10-13)11-16(18)14-6-4-5-12(2)9-14/h4-6,9,13,15-18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol?
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 114425978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).