[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C18H28N2O2 — CID 91921720

IUPAC[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCOc1cccc(CN2CC(CO)C3(CCNCC3)C2)c1
InChIInChI=1S/C18H28N2O2/c1-2-22-17-5-3-4-15(10-17)11-20-12-16(13-21)18(14-20)6-8-19-9-7-18/h3-5,10,16,19,21H,2,6-9,11-14H2,1H3
InChIKeyHFXWYACXSIONKT-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.88
Rot. Bonds5

About [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921720) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921720
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCOc1cccc(CN2CC(CO)C3(CCNCC3)C2)c1
InChIInChI=1S/C18H28N2O2/c1-2-22-17-5-3-4-15(10-17)11-20-12-16(13-21)18(14-20)6-8-19-9-7-18/h3-5,10,16,19,21H,2,6-9,11-14H2,1H3
InChIKeyHFXWYACXSIONKT-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 71830135
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[4-(hydroxymethyl)-8-[[3-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91921752
(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 86283734
[3-[(3-ethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl] thiophene-2-carboxylate
CID 90766564
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921720) is [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is CCOc1cccc(CN2CC(CO)C3(CCNCC3)C2)c1.
What is the InChIKey of [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is HFXWYACXSIONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-22-17-5-3-4-15(10-17)11-20-12-16(13-21)18(14-20)6-8-19-9-7-18/h3-5,10,16,19,21H,2,6-9,11-14H2,1H3.
What are the key properties of [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 304.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).