ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate

C15H21F3N4O2 — CID 54055633

IUPACethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
SMILESCCOC(=O)CNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-2-24-13(23)10-19-9-11-4-7-22(8-5-11)12-3-6-20-14(21-12)15(16,17)18/h3,6,11,19H,2,4-5,7-10H2,1H3
InChIKeyLWAXFARNNXHNHS-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.86
Rot. Bonds6

About ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate

ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate (PubChem CID 54055633) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
PubChem CID54055633
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Nameethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
SMILESCCOC(=O)CNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-2-24-13(23)10-19-9-11-4-7-22(8-5-11)12-3-6-20-14(21-12)15(16,17)18/h3,6,11,19H,2,4-5,7-10H2,1H3
InChIKeyLWAXFARNNXHNHS-UHFFFAOYSA-N
XLogP1.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948
N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189344
Methyl {4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl}acetate
CID 50964777
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 72856404
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72869990
2-N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 95125696
Cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 99817845
ethyl 4-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 164643114
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 171358912
N-Ethyl-N-[[1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]amine
CID 19008881
Ethyl 3-[[1-(1-ethoxy-2-oxoethyl)-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-ium-4-yl]methylamino]-3-oxopropanoate
CID 54437732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate?
The IUPAC name of ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate (CID 54055633) is ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate?
The canonical SMILES for ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate is CCOC(=O)CNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate?
The InChIKey is LWAXFARNNXHNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-2-24-13(23)10-19-9-11-4-7-22(8-5-11)12-3-6-20-14(21-12)15(16,17)18/h3,6,11,19H,2,4-5,7-10H2,1H3.
What are the key properties of ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate?
ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate has a molecular weight of 346.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate is sourced from PubChem (CID 54055633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).