[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol

C16H25NO2 — CID 82091322

IUPAC[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
SMILESCCc1cc(C2(CO)CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-13-11-14(5-6-15(13)19-3)16(12-18)7-9-17(2)10-8-16/h5-6,11,18H,4,7-10,12H2,1-3H3
InChIKeyKDUBNUAALOCNRL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.21
Rot. Bonds4

About [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol

[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol (PubChem CID 82091322) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
PubChem CID82091322
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
SMILESCCc1cc(C2(CO)CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-13-11-14(5-6-15(13)19-3)16(12-18)7-9-17(2)10-8-16/h5-6,11,18H,4,7-10,12H2,1-3H3
InChIKeyKDUBNUAALOCNRL-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 82122007
[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82088194
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
[4-(4-ethoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82087200
[4-(4-methoxy-3-propan-2-ylphenyl)piperidin-4-yl]methanol
CID 82486093
(5S)-7-[(3S)-3-(3,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]-2,5-dimethylheptan-3-one
CID 166491672
(5S)-7-[(3S)-3-(3,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]-2,5-dimethylheptan-3-one;ethane
CID 166491671
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
2-ethyl-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 82085813

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol (CID 82091322) is [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol is CCc1cc(C2(CO)CCN(C)CC2)ccc1OC.
What is the InChIKey of [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is KDUBNUAALOCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-11-14(5-6-15(13)19-3)16(12-18)7-9-17(2)10-8-16/h5-6,11,18H,4,7-10,12H2,1-3H3.
What are the key properties of [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 82091322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).