7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline

C21H19F3N2O2 — CID 122196535

IUPAC7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline
SMILESFC(F)(F)Oc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)28-18-3-1-14(2-4-18)19-11-15-5-8-26-13-16(15)12-20(19)27-17-6-9-25-10-7-17/h1-5,8,11-13,17,25H,6-7,9-10H2
InChIKeySPTZFPQHHPQVTO-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.93
Rot. Bonds4

About 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline

7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline (PubChem CID 122196535) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline.

Molecular Properties

Compound Name7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline
PubChem CID122196535
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline
SMILESFC(F)(F)Oc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)28-18-3-1-14(2-4-18)19-11-15-5-8-26-13-16(15)12-20(19)27-17-6-9-25-10-7-17/h1-5,8,11-13,17,25H,6-7,9-10H2
InChIKeySPTZFPQHHPQVTO-UHFFFAOYSA-N
XLogP4.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline?
The IUPAC name of 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline (CID 122196535) is 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline.
What is the SMILES notation for 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline?
The canonical SMILES for 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline is FC(F)(F)Oc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1.
What is the InChIKey of 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline?
The InChIKey is SPTZFPQHHPQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)28-18-3-1-14(2-4-18)19-11-15-5-8-26-13-16(15)12-20(19)27-17-6-9-25-10-7-17/h1-5,8,11-13,17,25H,6-7,9-10H2.
What are the key properties of 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline?
7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline has a molecular weight of 388.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yloxy-6-[4-(trifluoromethoxy)phenyl]isoquinoline is sourced from PubChem (CID 122196535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).