4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine

C10H19F2N3 — CID 134434439

IUPAC4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C10H19F2N3/c1-14-4-2-9(13,3-5-14)6-15-7-10(11,12)8-15/h2-8,13H2,1H3
InChIKeyMKCKTZWIAIRRNI-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.36
Rot. Bonds2

About 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine

4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine (PubChem CID 134434439) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine
PubChem CID134434439
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C10H19F2N3/c1-14-4-2-9(13,3-5-14)6-15-7-10(11,12)8-15/h2-8,13H2,1H3
InChIKeyMKCKTZWIAIRRNI-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine (CID 134434439) is 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine is CN1CCC(N)(CN2CC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is MKCKTZWIAIRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3/c1-14-4-2-9(13,3-5-14)6-15-7-10(11,12)8-15/h2-8,13H2,1H3.
What are the key properties of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine?
4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 219.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 134434439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).