4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene

C12H16N2 — CID 130224497

IUPAC4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene
SMILESCC1=C2C=C(N3CCCCC3)C2N=C1
InChIInChI=1S/C12H16N2/c1-9-8-13-12-10(9)7-11(12)14-5-3-2-4-6-14/h7-8,12H,2-6H2,1H3
InChIKeyPZNMOVUZARNPDD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds1

About 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene

4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene (PubChem CID 130224497) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene.

Molecular Properties

Compound Name4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene
PubChem CID130224497
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene
SMILESCC1=C2C=C(N3CCCCC3)C2N=C1
InChIInChI=1S/C12H16N2/c1-9-8-13-12-10(9)7-11(12)14-5-3-2-4-6-14/h7-8,12H,2-6H2,1H3
InChIKeyPZNMOVUZARNPDD-UHFFFAOYSA-N
XLogP2.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene?
The IUPAC name of 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene (CID 130224497) is 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene.
What is the SMILES notation for 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene?
The canonical SMILES for 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene is CC1=C2C=C(N3CCCCC3)C2N=C1.
What is the InChIKey of 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene?
The InChIKey is PZNMOVUZARNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-8-13-12-10(9)7-11(12)14-5-3-2-4-6-14/h7-8,12H,2-6H2,1H3.
What are the key properties of 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene?
4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene has a molecular weight of 188.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-piperidin-1-yl-2-azabicyclo[3.2.0]hepta-2,4,6-triene is sourced from PubChem (CID 130224497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).