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

C11H19F2NO — CID 126845137

IUPAC3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
SMILESCC1(C)C(COC2CCCNC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-4-3-5-14-6-8/h8-9,14H,3-7H2,1-2H3
InChIKeyPOSMKPNUHFACGO-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.05
Rot. Bonds3

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

3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine (PubChem CID 126845137) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
PubChem CID126845137
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
SMILESCC1(C)C(COC2CCCNC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-4-3-5-14-6-8/h8-9,14H,3-7H2,1-2H3
InChIKeyPOSMKPNUHFACGO-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

Analyze 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]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-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
The IUPAC name of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine (CID 126845137) is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine.
What is the SMILES notation for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
The canonical SMILES for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine is CC1(C)C(COC2CCCNC2)C1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
The InChIKey is POSMKPNUHFACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-8-4-3-5-14-6-8/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine?
3-[(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 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine is sourced from PubChem (CID 126845137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).