1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine

C20H25NO — CID 23468917

IUPAC1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
SMILESC=CCN1CCC(c2ccc3oc4c(c3c2)CCCC4)CC1
InChIInChI=1S/C20H25NO/c1-2-11-21-12-9-15(10-13-21)16-7-8-20-18(14-16)17-5-3-4-6-19(17)22-20/h2,7-8,14-15H,1,3-6,9-13H2
InChIKeyKAHRXCXEVPHKSP-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.68
Rot. Bonds3

About 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine

1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine (PubChem CID 23468917) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine.

Molecular Properties

Compound Name1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
PubChem CID23468917
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
SMILESC=CCN1CCC(c2ccc3oc4c(c3c2)CCCC4)CC1
InChIInChI=1S/C20H25NO/c1-2-11-21-12-9-15(10-13-21)16-7-8-20-18(14-16)17-5-3-4-6-19(17)22-20/h2,7-8,14-15H,1,3-6,9-13H2
InChIKeyKAHRXCXEVPHKSP-UHFFFAOYSA-N
XLogP4.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)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-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The IUPAC name of 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine (CID 23468917) is 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine.
What is the SMILES notation for 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The canonical SMILES for 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine is C=CCN1CCC(c2ccc3oc4c(c3c2)CCCC4)CC1.
What is the InChIKey of 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The InChIKey is KAHRXCXEVPHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-11-21-12-9-15(10-13-21)16-7-8-20-18(14-16)17-5-3-4-6-19(17)22-20/h2,7-8,14-15H,1,3-6,9-13H2.
What are the key properties of 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(6,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine is sourced from PubChem (CID 23468917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).