tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate

C15H27F3N2O3 — CID 103947700

IUPACtert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NCC(O)C(F)(F)F)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27F3N2O3/c1-10(19-8-12(21)15(16,17)18)11-6-5-7-20(9-11)13(22)23-14(2,3)4/h10-12,19,21H,5-9H2,1-4H3
InChIKeyJILBACHVPBFHFY-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 103947700) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID103947700
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NCC(O)C(F)(F)F)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27F3N2O3/c1-10(19-8-12(21)15(16,17)18)11-6-5-7-20(9-11)13(22)23-14(2,3)4/h10-12,19,21H,5-9H2,1-4H3
InChIKeyJILBACHVPBFHFY-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate (CID 103947700) is tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate is CC(NCC(O)C(F)(F)F)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is JILBACHVPBFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-10(19-8-12(21)15(16,17)18)11-6-5-7-20(9-11)13(22)23-14(2,3)4/h10-12,19,21H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103947700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).