1-(2-piperidin-1-ylethyl)isoquinoline

C16H20N2 — CID 3080024

IUPAC1-(2-piperidin-1-ylethyl)isoquinoline
SMILESc1ccc2c(CCN3CCCCC3)nccc2c1
InChIInChI=1S/C16H20N2/c1-4-11-18(12-5-1)13-9-16-15-7-3-2-6-14(15)8-10-17-16/h2-3,6-8,10H,1,4-5,9,11-13H2
InChIKeyLOYAWKCTCLZNGA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.26
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)isoquinoline

1-(2-piperidin-1-ylethyl)isoquinoline (PubChem CID 3080024) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)isoquinoline.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)isoquinoline
PubChem CID3080024
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2-piperidin-1-ylethyl)isoquinoline
SMILESc1ccc2c(CCN3CCCCC3)nccc2c1
InChIInChI=1S/C16H20N2/c1-4-11-18(12-5-1)13-9-16-15-7-3-2-6-14(15)8-10-17-16/h2-3,6-8,10H,1,4-5,9,11-13H2
InChIKeyLOYAWKCTCLZNGA-UHFFFAOYSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)isoquinoline?
The IUPAC name of 1-(2-piperidin-1-ylethyl)isoquinoline (CID 3080024) is 1-(2-piperidin-1-ylethyl)isoquinoline.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)isoquinoline?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)isoquinoline is c1ccc2c(CCN3CCCCC3)nccc2c1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)isoquinoline?
The InChIKey is LOYAWKCTCLZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-11-18(12-5-1)13-9-16-15-7-3-2-6-14(15)8-10-17-16/h2-3,6-8,10H,1,4-5,9,11-13H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)isoquinoline?
1-(2-piperidin-1-ylethyl)isoquinoline has a molecular weight of 240.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)isoquinoline is sourced from PubChem (CID 3080024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).