methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate

C11H19F3N2O2 — CID 63382675

IUPACmethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)8-3-6-16(7-4-8)9(2-5-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyACFFWMDOYLVEBE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds4

About methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate

methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate (PubChem CID 63382675) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
PubChem CID63382675
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namemethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)8-3-6-16(7-4-8)9(2-5-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyACFFWMDOYLVEBE-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
CID 63382676
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide
CID 43753070
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
3-(4,4-dimethylazepan-1-yl)-4,4,4-trifluorobutan-1-amine
CID 65283826
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 63603154
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
ethyl 1-[3-(4-cyanophenyl)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxylate
CID 67142702
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl 1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-carboxylate
CID 79035901

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate (CID 63382675) is methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate?
The InChIKey is ACFFWMDOYLVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-10(17)8-3-6-16(7-4-8)9(2-5-15)11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate?
methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 63382675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).