4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine

C10H17F2NO — CID 129278257

IUPAC4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine
SMILESCC1(COC2CCNCC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)7-14-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3
InChIKeyIRWWWBHCGGPTLA-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.80
Rot. Bonds3

About 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine

4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine (PubChem CID 129278257) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine
PubChem CID129278257
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine
SMILESCC1(COC2CCNCC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)7-14-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3
InChIKeyIRWWWBHCGGPTLA-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine?
The IUPAC name of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine (CID 129278257) is 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine.
What is the SMILES notation for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine?
The canonical SMILES for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine is CC1(COC2CCNCC2)CC1(F)F.
What is the InChIKey of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine?
The InChIKey is IRWWWBHCGGPTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(6-10(9,11)12)7-14-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3.
What are the key properties of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine?
4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine has a molecular weight of 205.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]piperidine is sourced from PubChem (CID 129278257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).