8-chloro-5-piperidin-4-ylisoquinoline

C14H15ClN2 — CID 130378032

IUPAC8-chloro-5-piperidin-4-ylisoquinoline
SMILESClc1ccc(C2CCNCC2)c2ccncc12
InChIInChI=1S/C14H15ClN2/c15-14-2-1-11(10-3-6-16-7-4-10)12-5-8-17-9-13(12)14/h1-2,5,8-10,16H,3-4,6-7H2
InChIKeyWEFDBGAJXSKFAN-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.36
Rot. Bonds1

About 8-chloro-5-piperidin-4-ylisoquinoline

8-chloro-5-piperidin-4-ylisoquinoline (PubChem CID 130378032) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 8-chloro-5-piperidin-4-ylisoquinoline.

Molecular Properties

Compound Name8-chloro-5-piperidin-4-ylisoquinoline
PubChem CID130378032
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name8-chloro-5-piperidin-4-ylisoquinoline
SMILESClc1ccc(C2CCNCC2)c2ccncc12
InChIInChI=1S/C14H15ClN2/c15-14-2-1-11(10-3-6-16-7-4-10)12-5-8-17-9-13(12)14/h1-2,5,8-10,16H,3-4,6-7H2
InChIKeyWEFDBGAJXSKFAN-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-piperidin-4-ylisoquinoline?
The IUPAC name of 8-chloro-5-piperidin-4-ylisoquinoline (CID 130378032) is 8-chloro-5-piperidin-4-ylisoquinoline.
What is the SMILES notation for 8-chloro-5-piperidin-4-ylisoquinoline?
The canonical SMILES for 8-chloro-5-piperidin-4-ylisoquinoline is Clc1ccc(C2CCNCC2)c2ccncc12.
What is the InChIKey of 8-chloro-5-piperidin-4-ylisoquinoline?
The InChIKey is WEFDBGAJXSKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-14-2-1-11(10-3-6-16-7-4-10)12-5-8-17-9-13(12)14/h1-2,5,8-10,16H,3-4,6-7H2.
What are the key properties of 8-chloro-5-piperidin-4-ylisoquinoline?
8-chloro-5-piperidin-4-ylisoquinoline has a molecular weight of 246.74 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-piperidin-4-ylisoquinoline is sourced from PubChem (CID 130378032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).