tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate

C15H21F3N4O2 — CID 2796087

IUPACtert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)20-10-5-8-22(9-6-10)12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,23)
InChIKeyLWVKYWWOXWCHBX-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate (PubChem CID 2796087) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
PubChem CID2796087
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Nametert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)20-10-5-8-22(9-6-10)12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,23)
InChIKeyLWVKYWWOXWCHBX-UHFFFAOYSA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate (CID 2796087) is tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The InChIKey is LWVKYWWOXWCHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)20-10-5-8-22(9-6-10)12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 346.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 2796087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).