2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol

C15H23NO3 — CID 116825142

IUPAC2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
SMILESCOc1ccc(C(CO)C2CCNCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-18-14-4-3-12(9-15(14)19-2)13(10-17)11-5-7-16-8-6-11/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeySVUBWEGAYVHQSG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.78
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol

2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol (PubChem CID 116825142) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
PubChem CID116825142
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
SMILESCOc1ccc(C(CO)C2CCNCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-18-14-4-3-12(9-15(14)19-2)13(10-17)11-5-7-16-8-6-11/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeySVUBWEGAYVHQSG-UHFFFAOYSA-N
XLogP1.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
CID 82081026
2-(5-ethyl-2-methoxyphenyl)-2-piperidin-4-ylethanol
CID 116825161
4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine
CID 155387352
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol
CID 112514640
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
(3R)-3-[1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,3-dihydroisoindol-1-one
CID 67689383

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol (CID 116825142) is 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol is COc1ccc(C(CO)C2CCNCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol?
The InChIKey is SVUBWEGAYVHQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-4-3-12(9-15(14)19-2)13(10-17)11-5-7-16-8-6-11/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol?
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol has a molecular weight of 265.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol is sourced from PubChem (CID 116825142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).