methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

C11H19F3N2O2 — CID 43774757

IUPACmethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)2-5-15-9-3-6-16(7-4-9)8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyXJBGXTRMLSXSFB-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds5

About methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (PubChem CID 43774757) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
PubChem CID43774757
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)2-5-15-9-3-6-16(7-4-9)8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyXJBGXTRMLSXSFB-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
1-Propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67339631
1-Propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 69289347
1-(3-Methoxypropyl)piperidin-1-ium;2,2,2-trifluoroacetate
CID 90956868
Dimethyl(piperidin-1-ium-4-yl)azanium;2,2,2-trifluoroacetate
CID 140082169
1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455412
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
CID 153362096
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid
CID 155407867

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (CID 43774757) is methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is COC(=O)CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The InChIKey is XJBGXTRMLSXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-10(17)2-5-15-9-3-6-16(7-4-9)8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate has a molecular weight of 268.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is sourced from PubChem (CID 43774757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).