[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid

C11H13F3N4O2 — CID 67365390

IUPAC[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-9(17-8)18-5-2-7(3-6-18)16-10(19)20/h1,4,7,16H,2-3,5-6H2,(H,19,20)
InChIKeyDISLDBXQNWWEBK-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.73
Rot. Bonds2

About [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid (PubChem CID 67365390) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
PubChem CID67365390
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-9(17-8)18-5-2-7(3-6-18)16-10(19)20/h1,4,7,16H,2-3,5-6H2,(H,19,20)
InChIKeyDISLDBXQNWWEBK-UHFFFAOYSA-N
XLogP1.73
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid (CID 67365390) is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The InChIKey is DISLDBXQNWWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-9(17-8)18-5-2-7(3-6-18)16-10(19)20/h1,4,7,16H,2-3,5-6H2,(H,19,20).
What are the key properties of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid has a molecular weight of 290.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67365390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).