1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone

C18H25NO2 — CID 63158386

IUPAC1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H25NO2/c1-14(20)15-4-5-17(21)16(12-15)13-19-10-8-18(9-11-19)6-2-3-7-18/h4-5,12,21H,2-3,6-11,13H2,1H3
InChIKeyKWFLCCSOWUKXSR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.75
Rot. Bonds3

About 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone

1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone (PubChem CID 63158386) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone
PubChem CID63158386
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H25NO2/c1-14(20)15-4-5-17(21)16(12-15)13-19-10-8-18(9-11-19)6-2-3-7-18/h4-5,12,21H,2-3,6-11,13H2,1H3
InChIKeyKWFLCCSOWUKXSR-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-hydroxyphenyl]ethanone
CID 62206782
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 12883574
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
4-[(5-acetyl-2-hydroxyphenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63606989
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[4-hydroxy-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 62469020
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone (CID 63158386) is 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone is CC(=O)c1ccc(O)c(CN2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone?
The InChIKey is KWFLCCSOWUKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(20)15-4-5-17(21)16(12-15)13-19-10-8-18(9-11-19)6-2-3-7-18/h4-5,12,21H,2-3,6-11,13H2,1H3.
What are the key properties of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone?
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 63158386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).