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

C12H15F3N4O2 — CID 67136538

IUPAC[piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid
SMILESO=C(O)NC(c1nccc(C(F)(F)F)n1)C1CCNCC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)8-3-6-17-10(18-8)9(19-11(20)21)7-1-4-16-5-2-7/h3,6-7,9,16,19H,1-2,4-5H2,(H,20,21)
InChIKeyXWWMOMPPZVSTFQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.80
Rot. Bonds3

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

[piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid (PubChem CID 67136538) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid
PubChem CID67136538
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name[piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid
SMILESO=C(O)NC(c1nccc(C(F)(F)F)n1)C1CCNCC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)8-3-6-17-10(18-8)9(19-11(20)21)7-1-4-16-5-2-7/h3,6-7,9,16,19H,1-2,4-5H2,(H,20,21)
InChIKeyXWWMOMPPZVSTFQ-UHFFFAOYSA-N
XLogP1.80
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid?
The IUPAC name of [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid (CID 67136538) is [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid.
What is the SMILES notation for [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid?
The canonical SMILES for [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid is O=C(O)NC(c1nccc(C(F)(F)F)n1)C1CCNCC1.
What is the InChIKey of [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid?
The InChIKey is XWWMOMPPZVSTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)8-3-6-17-10(18-8)9(19-11(20)21)7-1-4-16-5-2-7/h3,6-7,9,16,19H,1-2,4-5H2,(H,20,21).
What are the key properties of [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid?
[piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid has a molecular weight of 304.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [piperidin-4-yl-[4-(trifluoromethyl)pyrimidin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 67136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).