5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline

C14H14N2 — CID 62813158

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
SMILESC1=C(c2cccc3cnccc23)CCNC1
InChIInChI=1S/C14H14N2/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11/h1-4,6,9-10,15H,5,7-8H2
InChIKeyCDWSSKRWYXSFLG-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.61
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline

5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline (PubChem CID 62813158) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
PubChem CID62813158
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
SMILESC1=C(c2cccc3cnccc23)CCNC1
InChIInChI=1S/C14H14N2/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11/h1-4,6,9-10,15H,5,7-8H2
InChIKeyCDWSSKRWYXSFLG-UHFFFAOYSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline (CID 62813158) is 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline is C1=C(c2cccc3cnccc23)CCNC1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline?
The InChIKey is CDWSSKRWYXSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11/h1-4,6,9-10,15H,5,7-8H2.
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline?
5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline has a molecular weight of 210.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline is sourced from PubChem (CID 62813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).