2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C15H20F3N3 — CID 17382094

IUPAC2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-11-7-3-1-4-8-12(11)19-14(20-13)21-9-5-2-6-10-21/h1-10H2
InChIKeyCEXOOVKJMUBDFS-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.75
Rot. Bonds1

About 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 17382094) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID17382094
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-11-7-3-1-4-8-12(11)19-14(20-13)21-9-5-2-6-10-21/h1-10H2
InChIKeyCEXOOVKJMUBDFS-UHFFFAOYSA-N
XLogP3.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 17382094) is 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is FC(F)(F)c1nc(N2CCCCC2)nc2c1CCCCC2.
What is the InChIKey of 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is CEXOOVKJMUBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)13-11-7-3-1-4-8-12(11)19-14(20-13)21-9-5-2-6-10-21/h1-10H2.
What are the key properties of 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 299.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 17382094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).