3-methyl-1-azabicyclo[2.2.0]hexane;piperidine

C11H22N2 — CID 118163643

IUPAC3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
SMILESC1CCNCC1.CC1CN2CCC12
InChIInChI=1S/C6H11N.C5H11N/c1-5-4-7-3-2-6(5)7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;6H,1-5H2
InChIKeyYGBSSFOJCJYPKU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds

About 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine

3-methyl-1-azabicyclo[2.2.0]hexane;piperidine (PubChem CID 118163643) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
PubChem CID118163643
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
SMILESC1CCNCC1.CC1CN2CCC12
InChIInChI=1S/C6H11N.C5H11N/c1-5-4-7-3-2-6(5)7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;6H,1-5H2
InChIKeyYGBSSFOJCJYPKU-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine?
The IUPAC name of 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine (CID 118163643) is 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine.
What is the SMILES notation for 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine?
The canonical SMILES for 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine is C1CCNCC1.CC1CN2CCC12.
What is the InChIKey of 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine?
The InChIKey is YGBSSFOJCJYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H11N/c1-5-4-7-3-2-6(5)7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;6H,1-5H2.
What are the key properties of 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine?
3-methyl-1-azabicyclo[2.2.0]hexane;piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[2.2.0]hexane;piperidine is sourced from PubChem (CID 118163643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).