9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C17H25NO2 — CID 132941699

IUPAC9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC1CN(Cc2ccccc2)CCC12CC(O)CCO2
InChIInChI=1S/C17H25NO2/c1-14-12-18(13-15-5-3-2-4-6-15)9-8-17(14)11-16(19)7-10-20-17/h2-6,14,16,19H,7-13H2,1H3
InChIKeyWSGOPGWVHFGTMK-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.44
Rot. Bonds2

About 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 132941699) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID132941699
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC1CN(Cc2ccccc2)CCC12CC(O)CCO2
InChIInChI=1S/C17H25NO2/c1-14-12-18(13-15-5-3-2-4-6-15)9-8-17(14)11-16(19)7-10-20-17/h2-6,14,16,19H,7-13H2,1H3
InChIKeyWSGOPGWVHFGTMK-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 132941698
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(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
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N-[(4S,5R)-9-benzyl-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxane-4-carboxamide
CID 169417272
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(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
[(5S,9S)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl] methanesulfonate
CID 95970365
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
CID 73074090

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 132941699) is 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is CC1CN(Cc2ccccc2)CCC12CC(O)CCO2.
What is the InChIKey of 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is WSGOPGWVHFGTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-12-18(13-15-5-3-2-4-6-15)9-8-17(14)11-16(19)7-10-20-17/h2-6,14,16,19H,7-13H2,1H3.
What are the key properties of 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 132941699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).