N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine

C12H17F3N4 — CID 64585472

IUPACN-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-16-8-9-3-6-19(7-4-9)11-17-5-2-10(18-11)12(13,14)15/h2,5,9,16H,3-4,6-8H2,1H3
InChIKeyHCPCRGCFXYNLSB-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.93
Rot. Bonds3

About N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine

N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 64585472) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID64585472
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-16-8-9-3-6-19(7-4-9)11-17-5-2-10(18-11)12(13,14)15/h2,5,9,16H,3-4,6-8H2,1H3
InChIKeyHCPCRGCFXYNLSB-UHFFFAOYSA-N
XLogP1.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine (CID 64585472) is N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine is CNCC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is HCPCRGCFXYNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-16-8-9-3-6-19(7-4-9)11-17-5-2-10(18-11)12(13,14)15/h2,5,9,16H,3-4,6-8H2,1H3.
What are the key properties of N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 274.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 64585472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).