tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate

C11H19F3N2O2 — CID 68562588

IUPACtert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-7-4-5-15-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyIHMWVWBSRVQKQQ-SFYZADRCSA-N
MW268.28 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate

tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate (PubChem CID 68562588) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate
PubChem CID68562588
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-7-4-5-15-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyIHMWVWBSRVQKQQ-SFYZADRCSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate (CID 68562588) is tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The InChIKey is IHMWVWBSRVQKQQ-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-7-4-5-15-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate?
tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 68562588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).