4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine

C11H19F2NO — CID 126845134

IUPAC4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
SMILESCC1(C)C(COC2CCNCC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-3-5-14-6-4-8/h8-9,14H,3-7H2,1-2H3
InChIKeyHAKDCHJMZCZBEY-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.05
Rot. Bonds3

About 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine

4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine (PubChem CID 126845134) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
PubChem CID126845134
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
SMILESCC1(C)C(COC2CCNCC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-3-5-14-6-4-8/h8-9,14H,3-7H2,1-2H3
InChIKeyHAKDCHJMZCZBEY-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.05
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-3,3-dimethylcyclopropyl)methoxy]piperidine?
The IUPAC name of 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine (CID 126845134) is 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine.
What is the SMILES notation for 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
The canonical SMILES for 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine is CC1(C)C(COC2CCNCC2)C1(F)F.
What is the InChIKey of 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
The InChIKey is HAKDCHJMZCZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-3-5-14-6-4-8/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine has a molecular weight of 219.27 g/mol, XLogP of 2.05, 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-3,3-dimethylcyclopropyl)methoxy]piperidine is sourced from PubChem (CID 126845134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).