1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine

C16H23F2N — CID 143505417

IUPAC1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine
SMILESCC(C)(C)N1CCCC(C2=CCC=C(F)C=C2F)C1
InChIInChI=1S/C16H23F2N/c1-16(2,3)19-9-5-6-12(11-19)14-8-4-7-13(17)10-15(14)18/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWZHOUPAGKVRUSL-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.53
Rot. Bonds1

About 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine

1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine (PubChem CID 143505417) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine
PubChem CID143505417
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine
SMILESCC(C)(C)N1CCCC(C2=CCC=C(F)C=C2F)C1
InChIInChI=1S/C16H23F2N/c1-16(2,3)19-9-5-6-12(11-19)14-8-4-7-13(17)10-15(14)18/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWZHOUPAGKVRUSL-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-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-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine?
The IUPAC name of 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine (CID 143505417) is 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine is CC(C)(C)N1CCCC(C2=CCC=C(F)C=C2F)C1.
What is the InChIKey of 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine?
The InChIKey is WZHOUPAGKVRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2,3)19-9-5-6-12(11-19)14-8-4-7-13(17)10-15(14)18/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine?
1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine has a molecular weight of 267.36 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(5,7-difluorocyclohepta-1,4,6-trien-1-yl)piperidine is sourced from PubChem (CID 143505417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).