2-benzyl-6-oxa-2-azaspiro[4.5]decane

C15H21NO — CID 82390526

IUPAC2-benzyl-6-oxa-2-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CCCCO3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-14(7-3-1)12-16-10-9-15(13-16)8-4-5-11-17-15/h1-3,6-7H,4-5,8-13H2
InChIKeyQTFSZFOVXQBQNM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds2

About 2-benzyl-6-oxa-2-azaspiro[4.5]decane

2-benzyl-6-oxa-2-azaspiro[4.5]decane (PubChem CID 82390526) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-benzyl-6-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-6-oxa-2-azaspiro[4.5]decane
PubChem CID82390526
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-benzyl-6-oxa-2-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CCCCO3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-14(7-3-1)12-16-10-9-15(13-16)8-4-5-11-17-15/h1-3,6-7H,4-5,8-13H2
InChIKeyQTFSZFOVXQBQNM-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562507
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
[(5S,9S)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl] methanesulfonate
CID 95970365
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
7-benzyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 134078908

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-benzyl-6-oxa-2-azaspiro[4.5]decane (CID 82390526) is 2-benzyl-6-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-6-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-6-oxa-2-azaspiro[4.5]decane is c1ccc(CN2CCC3(CCCCO3)C2)cc1.
What is the InChIKey of 2-benzyl-6-oxa-2-azaspiro[4.5]decane?
The InChIKey is QTFSZFOVXQBQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-14(7-3-1)12-16-10-9-15(13-16)8-4-5-11-17-15/h1-3,6-7H,4-5,8-13H2.
What are the key properties of 2-benzyl-6-oxa-2-azaspiro[4.5]decane?
2-benzyl-6-oxa-2-azaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 82390526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).