2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol

C15H23NO2 — CID 170887455

IUPAC2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
SMILESCc1ccc(OCC2CCCNC2)c(CCO)c1
InChIInChI=1S/C15H23NO2/c1-12-4-5-15(14(9-12)6-8-17)18-11-13-3-2-7-16-10-13/h4-5,9,13,16-17H,2-3,6-8,10-11H2,1H3
InChIKeyQPQLUPRHNQBLKF-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds5

About 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol

2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol (PubChem CID 170887455) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
PubChem CID170887455
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
SMILESCc1ccc(OCC2CCCNC2)c(CCO)c1
InChIInChI=1S/C15H23NO2/c1-12-4-5-15(14(9-12)6-8-17)18-11-13-3-2-7-16-10-13/h4-5,9,13,16-17H,2-3,6-8,10-11H2,1H3
InChIKeyQPQLUPRHNQBLKF-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
CID 117436667
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol (CID 170887455) is 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol is Cc1ccc(OCC2CCCNC2)c(CCO)c1.
What is the InChIKey of 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol?
The InChIKey is QPQLUPRHNQBLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-5-15(14(9-12)6-8-17)18-11-13-3-2-7-16-10-13/h4-5,9,13,16-17H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol?
2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 170887455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).