N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H17F3N4 — CID 43776713

IUPACN-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cc(NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H17F3N4/c1-17-7-10(6-15-17)16-9-2-4-18(5-3-9)8-11(12,13)14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyYESJAQWGZIMPLN-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.86
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43776713) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43776713
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cc(NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H17F3N4/c1-17-7-10(6-15-17)16-9-2-4-18(5-3-9)8-11(12,13)14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyYESJAQWGZIMPLN-UHFFFAOYSA-N
XLogP1.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43776713) is N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cn1cc(NC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is YESJAQWGZIMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-17-7-10(6-15-17)16-9-2-4-18(5-3-9)8-11(12,13)14/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43776713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).