1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

C14H14N2 — CID 2791632

IUPAC1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2c1ccncc1
InChIInChI=1S/C14H14N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-6,8-9,14,16H,7,10H2
InChIKeyJFKYAEYYDOTEBD-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.32
Rot. Bonds1

About 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2791632) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID2791632
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2c1ccncc1
InChIInChI=1S/C14H14N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-6,8-9,14,16H,7,10H2
InChIKeyJFKYAEYYDOTEBD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Azatadine
CID 19861
Isoquinoline
CID 8405
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
5-Aminoisoquinoline
CID 70766
4,4'-Bipyridine
CID 11107
3-Phenylpyridine
CID 13886
Lanicemine
CID 9794203

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (CID 2791632) is 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JFKYAEYYDOTEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-6,8-9,14,16H,7,10H2.
What are the key properties of 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 210.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2791632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).