4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine

C10H18F2N2O — CID 118166525

IUPAC4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine
SMILESCOC1CCN(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C10H18F2N2O/c1-15-9-2-5-14(8-9)13-6-3-10(11,12)4-7-13/h9H,2-8H2,1H3
InChIKeyMOAJRAKSAPOANO-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.35
Rot. Bonds2

About 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine

4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine (PubChem CID 118166525) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine
PubChem CID118166525
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine
SMILESCOC1CCN(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C10H18F2N2O/c1-15-9-2-5-14(8-9)13-6-3-10(11,12)4-7-13/h9H,2-8H2,1H3
InChIKeyMOAJRAKSAPOANO-UHFFFAOYSA-N
XLogP1.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine (CID 118166525) is 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine is COC1CCN(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine?
The InChIKey is MOAJRAKSAPOANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-15-9-2-5-14(8-9)13-6-3-10(11,12)4-7-13/h9H,2-8H2,1H3.
What are the key properties of 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine?
4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine has a molecular weight of 220.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methoxypyrrolidin-1-yl)piperidine is sourced from PubChem (CID 118166525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).