3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine

C17H30F2N2 — CID 170402741

IUPAC3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine
SMILESC=C(C)C1CNCC(CC(C)C2CN(C)CC(F)(F)C2)C1
InChIInChI=1S/C17H30F2N2/c1-12(2)15-6-14(8-20-9-15)5-13(3)16-7-17(18,19)11-21(4)10-16/h13-16,20H,1,5-11H2,2-4H3
InChIKeyQLBIYIQDLQBJHR-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.40
Rot. Bonds4

About 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine

3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine (PubChem CID 170402741) has the molecular formula C17H30F2N2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine
PubChem CID170402741
Molecular FormulaC17H30F2N2
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine
SMILESC=C(C)C1CNCC(CC(C)C2CN(C)CC(F)(F)C2)C1
InChIInChI=1S/C17H30F2N2/c1-12(2)15-6-14(8-20-9-15)5-13(3)16-7-17(18,19)11-21(4)10-16/h13-16,20H,1,5-11H2,2-4H3
InChIKeyQLBIYIQDLQBJHR-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-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 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine?
The IUPAC name of 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine (CID 170402741) is 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine?
The canonical SMILES for 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine is C=C(C)C1CNCC(CC(C)C2CN(C)CC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine?
The InChIKey is QLBIYIQDLQBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2/c1-12(2)15-6-14(8-20-9-15)5-13(3)16-7-17(18,19)11-21(4)10-16/h13-16,20H,1,5-11H2,2-4H3.
What are the key properties of 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine?
3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine has a molecular weight of 300.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine is sourced from PubChem (CID 170402741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).