tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

C11H19F3N2O2 — CID 99646092

IUPACtert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyCUNVTZVWJLBPQS-YUMQZZPRSA-N
MW268.28 g/mol
LogP2.05
Rot. Bonds1

About tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate (PubChem CID 99646092) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
PubChem CID99646092
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyCUNVTZVWJLBPQS-YUMQZZPRSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
N-but-1-en-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 142586354
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate (CID 99646092) is tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The InChIKey is CUNVTZVWJLBPQS-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 99646092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).