1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]

C10H18N2O — CID 86659311

IUPAC1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]
SMILESCC1OC2(CCN(C)CC2)C2NC12
InChIInChI=1S/C10H18N2O/c1-7-8-9(11-8)10(13-7)3-5-12(2)6-4-10/h7-9,11H,3-6H2,1-2H3
InChIKeyBXTKVPWNGCHUEY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.21
Rot. Bonds

About 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]

1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine] (PubChem CID 86659311) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine].

Molecular Properties

Compound Name1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]
PubChem CID86659311
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]
SMILESCC1OC2(CCN(C)CC2)C2NC12
InChIInChI=1S/C10H18N2O/c1-7-8-9(11-8)10(13-7)3-5-12(2)6-4-10/h7-9,11H,3-6H2,1-2H3
InChIKeyBXTKVPWNGCHUEY-UHFFFAOYSA-N
XLogP0.21
TPSA34.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]?
The IUPAC name of 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine] (CID 86659311) is 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine].
What is the SMILES notation for 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]?
The canonical SMILES for 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine] is CC1OC2(CCN(C)CC2)C2NC12.
What is the InChIKey of 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]?
The InChIKey is BXTKVPWNGCHUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-8-9(11-8)10(13-7)3-5-12(2)6-4-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]?
1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine] has a molecular weight of 182.27 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4-dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine] is sourced from PubChem (CID 86659311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).