6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride

C15H20ClN3 — CID 23321160

IUPAC6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
SMILESCc1cc2cnc(N3CCNCC3)cc2cc1C.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-7-13-9-15(18-5-3-16-4-6-18)17-10-14(13)8-12(11)2;/h7-10,16H,3-6H2,1-2H3;1H
InChIKeyYWJBCELEMKHKGL-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.68
Rot. Bonds1

About 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride

6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride (PubChem CID 23321160) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
PubChem CID23321160
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
SMILESCc1cc2cnc(N3CCNCC3)cc2cc1C.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-7-13-9-15(18-5-3-16-4-6-18)17-10-14(13)8-12(11)2;/h7-10,16H,3-6H2,1-2H3;1H
InChIKeyYWJBCELEMKHKGL-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride (CID 23321160) is 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride is Cc1cc2cnc(N3CCNCC3)cc2cc1C.Cl.
What is the InChIKey of 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The InChIKey is YWJBCELEMKHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-11-7-13-9-15(18-5-3-16-4-6-18)17-10-14(13)8-12(11)2;/h7-10,16H,3-6H2,1-2H3;1H.
What are the key properties of 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride is sourced from PubChem (CID 23321160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).