methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate

C10H17F3N2O2 — CID 83825507

IUPACmethyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate
SMILESCOC(=O)CC(N1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)6-8(10(11,12)13)15-4-2-7(14)3-5-15/h7-8H,2-6,14H2,1H3
InChIKeyRKSUDAORBUQLOE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.90
Rot. Bonds3

About methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate

methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate (PubChem CID 83825507) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate
PubChem CID83825507
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate
SMILESCOC(=O)CC(N1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)6-8(10(11,12)13)15-4-2-7(14)3-5-15/h7-8H,2-6,14H2,1H3
InChIKeyRKSUDAORBUQLOE-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
2-methylpropyl (3S)-3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129226492
2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129226596
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
CID 153362096
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
(1,2-Dimethylpiperidin-4-yl)azanium;2,2,2-trifluoroacetate
CID 160227990
Methyl 2-amino-4-(3,3-difluoropiperidin-1-yl)butanoate
CID 175000792
(1-Methylpiperidin-4-yl)azanium;2,2,2-trifluoroacetate
CID 177719162
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757
Methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
Ethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 61961756

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate?
The IUPAC name of methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate (CID 83825507) is methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate.
What is the SMILES notation for methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate?
The canonical SMILES for methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate is COC(=O)CC(N1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate?
The InChIKey is RKSUDAORBUQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-17-9(16)6-8(10(11,12)13)15-4-2-7(14)3-5-15/h7-8H,2-6,14H2,1H3.
What are the key properties of methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate?
methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate has a molecular weight of 254.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate is sourced from PubChem (CID 83825507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).