N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H19F3N4 — CID 103914598

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C12H19F3N4/c1-9(10-6-16-17-7-10)18-11-2-4-19(5-3-11)8-12(13,14)15/h6-7,9,11,18H,2-5,8H2,1H3,(H,16,17)
InChIKeyZXYOLGGXDPXMPH-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914598) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914598
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C12H19F3N4/c1-9(10-6-16-17-7-10)18-11-2-4-19(5-3-11)8-12(13,14)15/h6-7,9,11,18H,2-5,8H2,1H3,(H,16,17)
InChIKeyZXYOLGGXDPXMPH-UHFFFAOYSA-N
XLogP2.09
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)piperidine
CID 54593248
2-(1H-pyrazol-4-yl)piperazine
CID 131060075
2-[(3S)-3-methylpiperidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 97837262
(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 164636204
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine
CID 69063756
1-((3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazine
CID 82620222
1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
CID 122575498
2-(4,4-difluoropiperidin-1-yl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 135148933
2-Methyl-6-(3-(trifluoromethyl)-1H-pyrazol-4-yl)piperazine
CID 139343563
2-(1H-Pyrazol-4-yl)-6-(trifluoromethyl)piperazine
CID 139343890
(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 140925045

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914598) is N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is ZXYOLGGXDPXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-9(10-6-16-17-7-10)18-11-2-4-19(5-3-11)8-12(13,14)15/h6-7,9,11,18H,2-5,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 276.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).