3-(1,1-difluoropropan-2-yl)piperidin-4-amine

C8H16F2N2 — CID 67126393

IUPAC3-(1,1-difluoropropan-2-yl)piperidin-4-amine
SMILESCC(C(F)F)C1CNCCC1N
InChIInChI=1S/C8H16F2N2/c1-5(8(9)10)6-4-12-3-2-7(6)11/h5-8,12H,2-4,11H2,1H3
InChIKeyIWZLPRIWIVDEIF-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.82
Rot. Bonds2

About 3-(1,1-difluoropropan-2-yl)piperidin-4-amine

3-(1,1-difluoropropan-2-yl)piperidin-4-amine (PubChem CID 67126393) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yl)piperidin-4-amine
PubChem CID67126393
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name3-(1,1-difluoropropan-2-yl)piperidin-4-amine
SMILESCC(C(F)F)C1CNCCC1N
InChIInChI=1S/C8H16F2N2/c1-5(8(9)10)6-4-12-3-2-7(6)11/h5-8,12H,2-4,11H2,1H3
InChIKeyIWZLPRIWIVDEIF-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The IUPAC name of 3-(1,1-difluoropropan-2-yl)piperidin-4-amine (CID 67126393) is 3-(1,1-difluoropropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The canonical SMILES for 3-(1,1-difluoropropan-2-yl)piperidin-4-amine is CC(C(F)F)C1CNCCC1N.
What is the InChIKey of 3-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The InChIKey is IWZLPRIWIVDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-5(8(9)10)6-4-12-3-2-7(6)11/h5-8,12H,2-4,11H2,1H3.
What are the key properties of 3-(1,1-difluoropropan-2-yl)piperidin-4-amine?
3-(1,1-difluoropropan-2-yl)piperidin-4-amine has a molecular weight of 178.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 67126393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).