2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H17F3N4 — CID 114737989

IUPAC2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)nc2c1CNCC2
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-9-8-17-5-4-10(9)18-12(19-11)20-6-2-1-3-7-20/h17H,1-8H2
InChIKeyGFRBQOXEMJFGAV-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.13
Rot. Bonds1

About 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737989) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737989
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)nc2c1CNCC2
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-9-8-17-5-4-10(9)18-12(19-11)20-6-2-1-3-7-20/h17H,1-8H2
InChIKeyGFRBQOXEMJFGAV-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57374629
2-(azepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101225
4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 46201971
4-(4-fluorophenyl)-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepine;hydrochloride
CID 67367537
2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737971
1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]azepan-4-amine
CID 56902333
1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine
CID 82192137
2-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737950
2-(1-methoxycyclobutyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737926
2-(azetidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101214
2-(azepan-1-yl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740020

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737989) is 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)(F)c1nc(N2CCCCC2)nc2c1CNCC2.
What is the InChIKey of 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is GFRBQOXEMJFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)11-9-8-17-5-4-10(9)18-12(19-11)20-6-2-1-3-7-20/h17H,1-8H2.
What are the key properties of 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 286.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).