7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline

C15H15F3N2 — CID 117449782

IUPAC7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1cncc2cc(C3CCNCC3)ccc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-9-20-8-12-7-11(1-2-13(12)14)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2
InChIKeySEACQODEWKSMSU-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.72
Rot. Bonds1

About 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline

7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline (PubChem CID 117449782) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline
PubChem CID117449782
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1cncc2cc(C3CCNCC3)ccc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-9-20-8-12-7-11(1-2-13(12)14)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2
InChIKeySEACQODEWKSMSU-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline?
The IUPAC name of 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline (CID 117449782) is 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline?
The canonical SMILES for 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline is FC(F)(F)c1cncc2cc(C3CCNCC3)ccc12.
What is the InChIKey of 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline?
The InChIKey is SEACQODEWKSMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)14-9-20-8-12-7-11(1-2-13(12)14)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2.
What are the key properties of 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline?
7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline has a molecular weight of 280.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 117449782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).