4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine

C11H19F2N — CID 145027172

IUPAC4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(C(F)F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)9(3)14-6-4-10(5-7-14)11(12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyKPQGLXUEJJQEHX-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.13
Rot. Bonds3

About 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine

4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine (PubChem CID 145027172) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
PubChem CID145027172
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(C(F)F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)9(3)14-6-4-10(5-7-14)11(12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyKPQGLXUEJJQEHX-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethyl)-1-(3-methylbut-1-en-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 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine (CID 145027172) is 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine is C=C(C(C)C)N1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine?
The InChIKey is KPQGLXUEJJQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)9(3)14-6-4-10(5-7-14)11(12)13/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine?
4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine has a molecular weight of 203.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 145027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).