2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid

C12H15F3N4O2 — CID 67090566

IUPAC2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-4-5-16-10(18-9)17-7-8-3-1-2-6-19(8)11(20)21/h4-5,8H,1-3,6-7H2,(H,20,21)(H,16,17,18)
InChIKeyGOMXJTZGAYIBAT-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.44
Rot. Bonds3

About 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid

2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid (PubChem CID 67090566) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid
PubChem CID67090566
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-4-5-16-10(18-9)17-7-8-3-1-2-6-19(8)11(20)21/h4-5,8H,1-3,6-7H2,(H,20,21)(H,16,17,18)
InChIKeyGOMXJTZGAYIBAT-UHFFFAOYSA-N
XLogP2.44
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid (CID 67090566) is 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCCC1CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is GOMXJTZGAYIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)9-4-5-16-10(18-9)17-7-8-3-1-2-6-19(8)11(20)21/h4-5,8H,1-3,6-7H2,(H,20,21)(H,16,17,18).
What are the key properties of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 304.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67090566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).