3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine

C8H16F2N2O — CID 170903503

IUPAC3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(N)C(F)(F)C1
InChIInChI=1S/C8H16F2N2O/c1-13-5-4-12-3-2-7(11)8(9,10)6-12/h7H,2-6,11H2,1H3
InChIKeySEUKVHLFAIZWCK-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.30
Rot. Bonds3

About 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine

3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 170903503) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID170903503
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(N)C(F)(F)C1
InChIInChI=1S/C8H16F2N2O/c1-13-5-4-12-3-2-7(11)8(9,10)6-12/h7H,2-6,11H2,1H3
InChIKeySEUKVHLFAIZWCK-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine (CID 170903503) is 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CCC(N)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is SEUKVHLFAIZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-13-5-4-12-3-2-7(11)8(9,10)6-12/h7H,2-6,11H2,1H3.
What are the key properties of 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine?
3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 194.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 170903503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).