N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine

C13H22F2N4 — CID 75502750

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C13H22F2N4/c1-10(2)18-6-3-11(4-7-18)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyZQZYLTWOUJPQID-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.43
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 75502750) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID75502750
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C13H22F2N4/c1-10(2)18-6-3-11(4-7-18)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyZQZYLTWOUJPQID-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine (CID 75502750) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccn(CC(F)F)n2)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is ZQZYLTWOUJPQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-10(2)18-6-3-11(4-7-18)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 272.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 75502750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).