N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine

C13H19F3N4 — CID 19008881

IUPACN-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-2-17-9-10-4-7-20(8-5-10)11-3-6-18-12(19-11)13(14,15)16/h3,6,10,17H,2,4-5,7-9H2,1H3
InChIKeyIDJKRZQGNGTXDD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.32
Rot. Bonds4

About N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine

N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine (PubChem CID 19008881) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine
PubChem CID19008881
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-2-17-9-10-4-7-20(8-5-10)11-3-6-18-12(19-11)13(14,15)16/h3,6,10,17H,2,4-5,7-9H2,1H3
InChIKeyIDJKRZQGNGTXDD-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine (CID 19008881) is N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is IDJKRZQGNGTXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-2-17-9-10-4-7-20(8-5-10)11-3-6-18-12(19-11)13(14,15)16/h3,6,10,17H,2,4-5,7-9H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 19008881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).