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

C13H23F2NO — CID 126845153

IUPAC2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine
SMILESCC1(C)C(COCCC2CCCCN2)C1(F)F
InChIInChI=1S/C13H23F2NO/c1-12(2)11(13(12,14)15)9-17-8-6-10-5-3-4-7-16-10/h10-11,16H,3-9H2,1-2H3
InChIKeyIRAVJGJNITYISW-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.83
Rot. Bonds5

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

2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine (PubChem CID 126845153) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine
PubChem CID126845153
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine
SMILESCC1(C)C(COCCC2CCCCN2)C1(F)F
InChIInChI=1S/C13H23F2NO/c1-12(2)11(13(12,14)15)9-17-8-6-10-5-3-4-7-16-10/h10-11,16H,3-9H2,1-2H3
InChIKeyIRAVJGJNITYISW-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine (CID 126845153) is 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine is CC1(C)C(COCCC2CCCCN2)C1(F)F.
What is the InChIKey of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine?
The InChIKey is IRAVJGJNITYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-12(2)11(13(12,14)15)9-17-8-6-10-5-3-4-7-16-10/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine?
2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine has a molecular weight of 247.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 126845153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).