1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]

C11H19NO — CID 58516165

IUPAC1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]
SMILESCC1OC2(CCN(C)CC2)C2CC12
InChIInChI=1S/C11H19NO/c1-8-9-7-10(9)11(13-8)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3
InChIKeyYKERHTWQGPDBBA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.51
Rot. Bonds

About 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]

1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] (PubChem CID 58516165) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine].

Molecular Properties

Compound Name1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]
PubChem CID58516165
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]
SMILESCC1OC2(CCN(C)CC2)C2CC12
InChIInChI=1S/C11H19NO/c1-8-9-7-10(9)11(13-8)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3
InChIKeyYKERHTWQGPDBBA-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-3-(2-methylpropyl)-1-oxa-8-azaspiro[4.5]decane
CID 66634713
1-Methyl-4-(oxan-2-yl)piperidine
CID 89190208
2-(2,2-Dimethylpropyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 89691600
3-(2,2-Dimethylpropyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 89691603
2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 89692289
CID 90148878
CID 90148878
3,9-Di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane
CID 118404638
1,4-Dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine
CID 123266417
1,4-Dimethyl-3-(4-methyloxan-3-yl)piperidine
CID 123365609
4-(7-Cyclopropylheptoxy)-1-methylpiperidine
CID 123613639
3,9-Dimethyl-1-oxa-9-azaspiro[5.5]undecane
CID 123815185
(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
CID 126672500

Frequently Asked Questions

What is the IUPAC name of 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]?
The IUPAC name of 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] (CID 58516165) is 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine].
What is the SMILES notation for 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]?
The canonical SMILES for 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] is CC1OC2(CCN(C)CC2)C2CC12.
What is the InChIKey of 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]?
The InChIKey is YKERHTWQGPDBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-9-7-10(9)11(13-8)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]?
1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] has a molecular weight of 181.28 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine] is sourced from PubChem (CID 58516165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).