(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate

C12H21F3N2O3 — CID 67875257

IUPAC(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate
SMILESCC(CC(N)COC(=O)C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-9(7-17-2-4-19-5-3-17)6-10(16)8-20-11(18)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyCISGIXHGLUMXAT-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.78
Rot. Bonds6

About (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate

(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate (PubChem CID 67875257) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate
PubChem CID67875257
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate
SMILESCC(CC(N)COC(=O)C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-9(7-17-2-4-19-5-3-17)6-10(16)8-20-11(18)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyCISGIXHGLUMXAT-UHFFFAOYSA-N
XLogP0.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholino-2-(S)-amino-4-methylpentane trifluoroacetate salt
CID 18649578
4-Methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
CID 19107608
[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate
CID 67625788
[4-Amino-1-(2-methylpropyl)piperidin-3-yl] 2,2,2-trifluoroacetate
CID 117604387
(1-Piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
CID 134325289
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
CID 156835214
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride
CID 166063089
[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174893872
Ethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxylate
CID 63383110
Ethyl 2-amino-2-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pentanoate
CID 65530639
Ethyl 2-amino-2-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoate
CID 65532376
Ethyl 2-amino-4-[3-(trifluoromethyl)piperidin-1-yl]butanoate
CID 65532377

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate (CID 67875257) is (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate is CC(CC(N)COC(=O)C(F)(F)F)CN1CCOCC1.
What is the InChIKey of (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate?
The InChIKey is CISGIXHGLUMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-9(7-17-2-4-19-5-3-17)6-10(16)8-20-11(18)12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate?
(2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate has a molecular weight of 298.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67875257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).