N-(1,1-difluoropropan-2-yl)piperidin-1-amine

C8H16F2N2 — CID 102869960

IUPACN-(1,1-difluoropropan-2-yl)piperidin-1-amine
SMILESCC(NN1CCCCC1)C(F)F
InChIInChI=1S/C8H16F2N2/c1-7(8(9)10)11-12-5-3-2-4-6-12/h7-8,11H,2-6H2,1H3
InChIKeyLXYVFFUIWLEFRJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.63
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)piperidin-1-amine

N-(1,1-difluoropropan-2-yl)piperidin-1-amine (PubChem CID 102869960) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)piperidin-1-amine
PubChem CID102869960
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-(1,1-difluoropropan-2-yl)piperidin-1-amine
SMILESCC(NN1CCCCC1)C(F)F
InChIInChI=1S/C8H16F2N2/c1-7(8(9)10)11-12-5-3-2-4-6-12/h7-8,11H,2-6H2,1H3
InChIKeyLXYVFFUIWLEFRJ-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)piperidin-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)piperidin-1-amine (CID 102869960) is N-(1,1-difluoropropan-2-yl)piperidin-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)piperidin-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)piperidin-1-amine is CC(NN1CCCCC1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)piperidin-1-amine?
The InChIKey is LXYVFFUIWLEFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-7(8(9)10)11-12-5-3-2-4-6-12/h7-8,11H,2-6H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)piperidin-1-amine?
N-(1,1-difluoropropan-2-yl)piperidin-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)piperidin-1-amine is sourced from PubChem (CID 102869960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).