2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C12H16F4N4 — CID 58227980

IUPAC2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)CC1
InChIInChI=1S/C12H16F4N4/c13-9-1-3-20(4-2-9)10(5-17)8-6-18-11(19-7-8)12(14,15)16/h6-7,9-10H,1-5,17H2
InChIKeyQIBBMNHTSYFUFR-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58227980) has the molecular formula C12H16F4N4 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58227980
Molecular FormulaC12H16F4N4
Molecular Weight292.28 g/mol
Exact Mass292.13
IUPAC Name2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)CC1
InChIInChI=1S/C12H16F4N4/c13-9-1-3-20(4-2-9)10(5-17)8-6-18-11(19-7-8)12(14,15)16/h6-7,9-10H,1-5,17H2
InChIKeyQIBBMNHTSYFUFR-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
CID 95147589
5-ethyl-N-[(3S)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186977
5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
CID 97195992
5-ethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 97197180
1-cyclohexyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]piperidin-4-amine
CID 121545390
1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 164636442

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58227980) is 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is QIBBMNHTSYFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N4/c13-9-1-3-20(4-2-9)10(5-17)8-6-18-11(19-7-8)12(14,15)16/h6-7,9-10H,1-5,17H2.
What are the key properties of 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 292.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58227980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).