tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate

C14H24F3NO3 — CID 90447920

IUPACtert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate
SMILESCC(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-10(14(15,16)17)9-13(20)5-7-18(8-6-13)11(19)21-12(2,3)4/h10,20H,5-9H2,1-4H3
InChIKeyAJKWIZRKCYXFSE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate (PubChem CID 90447920) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate
PubChem CID90447920
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate
SMILESCC(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-10(14(15,16)17)9-13(20)5-7-18(8-6-13)11(19)21-12(2,3)4/h10,20H,5-9H2,1-4H3
InChIKeyAJKWIZRKCYXFSE-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate (CID 90447920) is tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate is CC(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F.
What is the InChIKey of tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is AJKWIZRKCYXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-10(14(15,16)17)9-13(20)5-7-18(8-6-13)11(19)21-12(2,3)4/h10,20H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 90447920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).