3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine

C11H21F2NO — CID 171532023

IUPAC3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1C
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3
InChIKeyPJPYQAKVQHZIPV-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.39
Rot. Bonds3

About 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine

3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine (PubChem CID 171532023) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
PubChem CID171532023
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1C
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3
InChIKeyPJPYQAKVQHZIPV-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine 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-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine (CID 171532023) is 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine is COCC1CCC(F)(F)C(C(C)C)N1C.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is PJPYQAKVQHZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 171532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).