9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane

C15H22N2O — CID 58299624

IUPAC9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)COCCN3)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-17-9-6-15(7-10-17)13-18-11-8-16-15/h1-5,16H,6-13H2
InChIKeyCKGGHZHNOGPIHH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.64
Rot. Bonds2

About 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 58299624) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID58299624
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)COCCN3)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-17-9-6-15(7-10-17)13-18-11-8-16-15/h1-5,16H,6-13H2
InChIKeyCKGGHZHNOGPIHH-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane;9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one;methane;oxolane
CID 159371216
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 83488700
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62264134
(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171828702
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
8-benzyl-1,4,8-oxadiazecan-5-one
CID 110200993

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 58299624) is 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane is c1ccc(CN2CCC3(CC2)COCCN3)cc1.
What is the InChIKey of 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is CKGGHZHNOGPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-17-9-6-15(7-10-17)13-18-11-8-16-15/h1-5,16H,6-13H2.
What are the key properties of 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 246.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58299624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).