1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine

C20H27N — CID 11529266

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C20H27N/c1-15-4-2-3-5-20(15)17-8-10-21(11-9-17)14-19-13-16-6-7-18(19)12-16/h2-7,16-19H,8-14H2,1H3
InChIKeyQTVYPUSWZANORS-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.39
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine (PubChem CID 11529266) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine
PubChem CID11529266
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C20H27N/c1-15-4-2-3-5-20(15)17-8-10-21(11-9-17)14-19-13-16-6-7-18(19)12-16/h2-7,16-19H,8-14H2,1H3
InChIKeyQTVYPUSWZANORS-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)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 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine (CID 11529266) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine is Cc1ccccc1C1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine?
The InChIKey is QTVYPUSWZANORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15-4-2-3-5-20(15)17-8-10-21(11-9-17)14-19-13-16-6-7-18(19)12-16/h2-7,16-19H,8-14H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine has a molecular weight of 281.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine is sourced from PubChem (CID 11529266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).