8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol

C16H23NO2 — CID 132941698

IUPAC8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H23NO2/c18-15-7-10-19-16(11-15)8-4-9-17(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2
InChIKeyVQFNLGZHTPRHEB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.19
Rot. Bonds2

About 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol

8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol (PubChem CID 132941698) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
PubChem CID132941698
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H23NO2/c18-15-7-10-19-16(11-15)8-4-9-17(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2
InChIKeyVQFNLGZHTPRHEB-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
[(5S,9S)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl] methanesulfonate
CID 95970365
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide
CID 121203822
9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 132941699
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
CID 19045403
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol (CID 132941698) is 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol is OC1CCOC2(CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol?
The InChIKey is VQFNLGZHTPRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15-7-10-19-16(11-15)8-4-9-17(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2.
What are the key properties of 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol?
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 132941698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).