methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C13H16F3N3O2 — CID 133273523

IUPACmethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N3O2/c1-21-12(20)19-6-4-10(5-7-19)18-11-3-2-9(8-17-11)13(14,15)16/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyIJVJVKDIHVMJCU-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.74
Rot. Bonds2

About methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate

methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 133273523) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID133273523
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Namemethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N3O2/c1-21-12(20)19-6-4-10(5-7-19)18-11-3-2-9(8-17-11)13(14,15)16/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyIJVJVKDIHVMJCU-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 133273523) is methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is IJVJVKDIHVMJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-21-12(20)19-6-4-10(5-7-19)18-11-3-2-9(8-17-11)13(14,15)16/h2-3,8,10H,4-7H2,1H3,(H,17,18).
What are the key properties of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 303.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 133273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).