ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

C13H22N2 — CID 143449398

IUPACethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=NC(N2CCCCC2)=CC2CC12.CC
InChIInChI=1S/C11H16N2.C2H6/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11;1-2/h7-10H,1-6H2;1-2H3
InChIKeyAZHSIEWQBOLHPY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds1

About ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143449398) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143449398
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=NC(N2CCCCC2)=CC2CC12.CC
InChIInChI=1S/C11H16N2.C2H6/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11;1-2/h7-10H,1-6H2;1-2H3
InChIKeyAZHSIEWQBOLHPY-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 142884381
Ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449342
3-Methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 146281395
N-[(Z)-1-(4-ethylpiperidin-1-yl)prop-1-enyl]propan-1-imine
CID 173875011
6-(4-Ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane
CID 178001646
5-Methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449343
4-Piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449399
6-(4-Ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
CID 178001647

Frequently Asked Questions

What is the IUPAC name of ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143449398) is ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is C1=NC(N2CCCCC2)=CC2CC12.CC.
What is the InChIKey of ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is AZHSIEWQBOLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11;1-2/h7-10H,1-6H2;1-2H3.
What are the key properties of ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 206.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143449398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).