1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine

C21H27N — CID 143530391

IUPAC1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine
SMILESCC1CCCN(CC(c2ccccc2)C2C=CC=CC=C2)C1
InChIInChI=1S/C21H27N/c1-18-10-9-15-22(16-18)17-21(20-13-7-4-8-14-20)19-11-5-2-3-6-12-19/h2-8,11-14,18-19,21H,9-10,15-17H2,1H3
InChIKeyWJIYQVMJPRSYQM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.80
Rot. Bonds4

About 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine

1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine (PubChem CID 143530391) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine
PubChem CID143530391
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine
SMILESCC1CCCN(CC(c2ccccc2)C2C=CC=CC=C2)C1
InChIInChI=1S/C21H27N/c1-18-10-9-15-22(16-18)17-21(20-13-7-4-8-14-20)19-11-5-2-3-6-12-19/h2-8,11-14,18-19,21H,9-10,15-17H2,1H3
InChIKeyWJIYQVMJPRSYQM-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine 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-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine?
The IUPAC name of 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine (CID 143530391) is 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine.
What is the SMILES notation for 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine?
The canonical SMILES for 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine is CC1CCCN(CC(c2ccccc2)C2C=CC=CC=C2)C1.
What is the InChIKey of 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine?
The InChIKey is WJIYQVMJPRSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-18-10-9-15-22(16-18)17-21(20-13-7-4-8-14-20)19-11-5-2-3-6-12-19/h2-8,11-14,18-19,21H,9-10,15-17H2,1H3.
What are the key properties of 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine?
1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine has a molecular weight of 293.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine is sourced from PubChem (CID 143530391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).