[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol

C16H25NO2 — CID 62018213

IUPAC[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
SMILESCCC1CCCN(Cc2cc(CO)ccc2OC)C1
InChIInChI=1S/C16H25NO2/c1-3-13-5-4-8-17(10-13)11-15-9-14(12-18)6-7-16(15)19-2/h6-7,9,13,18H,3-5,8,10-12H2,1-2H3
InChIKeyGCQCSDQZZTUGJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds5

About [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol

[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol (PubChem CID 62018213) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
PubChem CID62018213
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
SMILESCCC1CCCN(Cc2cc(CO)ccc2OC)C1
InChIInChI=1S/C16H25NO2/c1-3-13-5-4-8-17(10-13)11-15-9-14(12-18)6-7-16(15)19-2/h6-7,9,13,18H,3-5,8,10-12H2,1-2H3
InChIKeyGCQCSDQZZTUGJX-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
CID 62018768
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 63159605

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol (CID 62018213) is [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol is CCC1CCCN(Cc2cc(CO)ccc2OC)C1.
What is the InChIKey of [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The InChIKey is GCQCSDQZZTUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-13-5-4-8-17(10-13)11-15-9-14(12-18)6-7-16(15)19-2/h6-7,9,13,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 62018213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).