1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol

C15H23NO2 — CID 110540222

IUPAC1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccccc2OC)C1
InChIInChI=1S/C15H23NO2/c1-3-16-9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-2/h4-7,13-14,17H,3,8-11H2,1-2H3
InChIKeyBYVDVJCQWBLZFK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.94
Rot. Bonds4

About 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol

1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 110540222) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID110540222
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccccc2OC)C1
InChIInChI=1S/C15H23NO2/c1-3-16-9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-2/h4-7,13-14,17H,3,8-11H2,1-2H3
InChIKeyBYVDVJCQWBLZFK-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
3-[(2-heptoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537623
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
CID 110539552
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol (CID 110540222) is 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol is CCN1CCC(O)C(Cc2ccccc2OC)C1.
What is the InChIKey of 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is BYVDVJCQWBLZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-9-8-14(17)13(11-16)10-12-6-4-5-7-15(12)18-2/h4-7,13-14,17H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol?
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110540222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).