2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane

C15H21NO2 — CID 155893606

IUPAC2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESc1ccc(COCC2CC3(CNCCO3)C2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)10-17-11-14-8-15(9-14)12-16-6-7-18-15/h1-5,14,16H,6-12H2
InChIKeySNPJDDOUGYNEKB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane

2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 155893606) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID155893606
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESc1ccc(COCC2CC3(CNCCO3)C2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)10-17-11-14-8-15(9-14)12-16-6-7-18-15/h1-5,14,16H,6-12H2
InChIKeySNPJDDOUGYNEKB-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
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CID 65103450
(5S,7R,9R)-9-(phenylmethoxymethyl)-7-prop-2-enyl-1-oxaspiro[4.5]decan-7-ol
CID 10615361
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
4-(phenylmethoxymethyl)oxepane
CID 151980287
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133140989
(1R,3R)-2-(phenylmethoxymethyl)-1,3-dithiolane 1,3-dioxide
CID 15856736

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane (CID 155893606) is 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane is c1ccc(COCC2CC3(CNCCO3)C2)cc1.
What is the InChIKey of 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is SNPJDDOUGYNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-13(5-3-1)10-17-11-14-8-15(9-14)12-16-6-7-18-15/h1-5,14,16H,6-12H2.
What are the key properties of 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane?
2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 247.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 155893606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).