4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

C12H17N — CID 142165814

IUPAC4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESC1=CC2CC2C(C2CCNCC2)=C1
InChIInChI=1S/C12H17N/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9/h1-3,9-10,12-13H,4-8H2
InChIKeyIHKIVKJKHIOBFH-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.12
Rot. Bonds1

About 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (PubChem CID 142165814) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.

Molecular Properties

Compound Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
PubChem CID142165814
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESC1=CC2CC2C(C2CCNCC2)=C1
InChIInChI=1S/C12H17N/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9/h1-3,9-10,12-13H,4-8H2
InChIKeyIHKIVKJKHIOBFH-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (CID 142165814) is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.
What is the SMILES notation for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The canonical SMILES for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is C1=CC2CC2C(C2CCNCC2)=C1.
What is the InChIKey of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The InChIKey is IHKIVKJKHIOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9/h1-3,9-10,12-13H,4-8H2.
What are the key properties of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine has a molecular weight of 175.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is sourced from PubChem (CID 142165814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).