1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane

C16H32F2N2O — CID 170606751

IUPAC1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane
SMILESCCC.CCN1CCC(OCCN2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H24F2N2O.C3H8/c1-2-16-6-3-12(11-16)18-10-9-17-7-4-13(14,15)5-8-17;1-3-2/h12H,2-11H2,1H3;3H2,1-2H3
InChIKeyLLNOYBQCEOMJCD-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane

1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane (PubChem CID 170606751) has the molecular formula C16H32F2N2O and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane
PubChem CID170606751
Molecular FormulaC16H32F2N2O
Molecular Weight306.44 g/mol
Exact Mass306.25
IUPAC Name1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane
SMILESCCC.CCN1CCC(OCCN2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H24F2N2O.C3H8/c1-2-16-6-3-12(11-16)18-10-9-17-7-4-13(14,15)5-8-17;1-3-2/h12H,2-11H2,1H3;3H2,1-2H3
InChIKeyLLNOYBQCEOMJCD-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane (CID 170606751) is 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane is CCC.CCN1CCC(OCCN2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane?
The InChIKey is LLNOYBQCEOMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O.C3H8/c1-2-16-6-3-12(11-16)18-10-9-17-7-4-13(14,15)5-8-17;1-3-2/h12H,2-11H2,1H3;3H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane?
1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane has a molecular weight of 306.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane is sourced from PubChem (CID 170606751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).