4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine

C11H20F2N2O — CID 146452707

IUPAC4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine
SMILESFC1(F)CCN(CCOC2CCNCC2)C1
InChIInChI=1S/C11H20F2N2O/c12-11(13)3-6-15(9-11)7-8-16-10-1-4-14-5-2-10/h10,14H,1-9H2
InChIKeyFNZMTUDRKKSJRW-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.10
Rot. Bonds4

About 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine

4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine (PubChem CID 146452707) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine
PubChem CID146452707
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine
SMILESFC1(F)CCN(CCOC2CCNCC2)C1
InChIInChI=1S/C11H20F2N2O/c12-11(13)3-6-15(9-11)7-8-16-10-1-4-14-5-2-10/h10,14H,1-9H2
InChIKeyFNZMTUDRKKSJRW-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine (CID 146452707) is 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine is FC1(F)CCN(CCOC2CCNCC2)C1.
What is the InChIKey of 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine?
The InChIKey is FNZMTUDRKKSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13)3-6-15(9-11)7-8-16-10-1-4-14-5-2-10/h10,14H,1-9H2.
What are the key properties of 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine?
4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine has a molecular weight of 234.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]piperidine is sourced from PubChem (CID 146452707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).