5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

C12H18N2 — CID 143449343

IUPAC5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(N2CCCCC2)N=CC2CC12
InChIInChI=1S/C12H18N2/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14/h8,10-11H,2-7H2,1H3
InChIKeyJXYJGDQVACLODU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.42
Rot. Bonds1

About 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143449343) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143449343
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(N2CCCCC2)N=CC2CC12
InChIInChI=1S/C12H18N2/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14/h8,10-11H,2-7H2,1H3
InChIKeyJXYJGDQVACLODU-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143449343) is 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is CC1=C(N2CCCCC2)N=CC2CC12.
What is the InChIKey of 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is JXYJGDQVACLODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14/h8,10-11H,2-7H2,1H3.
What are the key properties of 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 190.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143449343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).