4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine

C10H19F2NO — CID 170689570

IUPAC4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CC(F)(F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-6-10(11,12)4-5-13(9)3/h8-9H,4-7H2,1-3H3
InChIKeyBOTSIUKPSZRSHS-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds3

About 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine

4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine (PubChem CID 170689570) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine
PubChem CID170689570
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CC(F)(F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-6-10(11,12)4-5-13(9)3/h8-9H,4-7H2,1-3H3
InChIKeyBOTSIUKPSZRSHS-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine (CID 170689570) is 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine is CC(C)OCC1CC(F)(F)CCN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is BOTSIUKPSZRSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)14-7-9-6-10(11,12)4-5-13(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine?
4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 170689570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).