[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol

C18H29NO3 — CID 77082765

IUPAC[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCCC2CCOC)cc1CO
InChIInChI=1S/C18H29NO3/c1-3-22-18-8-7-15(12-16(18)14-20)13-19-10-5-4-6-17(19)9-11-21-2/h7-8,12,17,20H,3-6,9-11,13-14H2,1-2H3
InChIKeyVYNPAPNHAMWLJZ-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.97
Rot. Bonds8

About [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 77082765) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
PubChem CID77082765
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCCC2CCOC)cc1CO
InChIInChI=1S/C18H29NO3/c1-3-22-18-8-7-15(12-16(18)14-20)13-19-10-5-4-6-17(19)9-11-21-2/h7-8,12,17,20H,3-6,9-11,13-14H2,1-2H3
InChIKeyVYNPAPNHAMWLJZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
CID 77096973
[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 95223742
(5-chloro-2-methoxyphenyl)-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 45251096
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol (CID 77082765) is [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCCCC2CCOC)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is VYNPAPNHAMWLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-22-18-8-7-15(12-16(18)14-20)13-19-10-5-4-6-17(19)9-11-21-2/h7-8,12,17,20H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 307.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 77082765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).