8-methyl-1-piperazin-1-ylisoquinoline

C14H17N3 — CID 82571211

IUPAC8-methyl-1-piperazin-1-ylisoquinoline
SMILESCc1cccc2ccnc(N3CCNCC3)c12
InChIInChI=1S/C14H17N3/c1-11-3-2-4-12-5-6-16-14(13(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyKXFUPEOUVXEQOT-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.95
Rot. Bonds1

About 8-methyl-1-piperazin-1-ylisoquinoline

8-methyl-1-piperazin-1-ylisoquinoline (PubChem CID 82571211) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 8-methyl-1-piperazin-1-ylisoquinoline.

Molecular Properties

Compound Name8-methyl-1-piperazin-1-ylisoquinoline
PubChem CID82571211
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name8-methyl-1-piperazin-1-ylisoquinoline
SMILESCc1cccc2ccnc(N3CCNCC3)c12
InChIInChI=1S/C14H17N3/c1-11-3-2-4-12-5-6-16-14(13(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyKXFUPEOUVXEQOT-UHFFFAOYSA-N
XLogP1.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817
1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
CID 82570609
N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine
CID 82572802
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
1-piperidin-1-ylisoquinolin-8-ol
CID 136699648
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
N-methyl-1-piperidin-1-ylisoquinolin-8-amine
CID 82572813
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-piperazin-1-ylisoquinoline?
The IUPAC name of 8-methyl-1-piperazin-1-ylisoquinoline (CID 82571211) is 8-methyl-1-piperazin-1-ylisoquinoline.
What is the SMILES notation for 8-methyl-1-piperazin-1-ylisoquinoline?
The canonical SMILES for 8-methyl-1-piperazin-1-ylisoquinoline is Cc1cccc2ccnc(N3CCNCC3)c12.
What is the InChIKey of 8-methyl-1-piperazin-1-ylisoquinoline?
The InChIKey is KXFUPEOUVXEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-3-2-4-12-5-6-16-14(13(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3.
What are the key properties of 8-methyl-1-piperazin-1-ylisoquinoline?
8-methyl-1-piperazin-1-ylisoquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-piperazin-1-ylisoquinoline is sourced from PubChem (CID 82571211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).