2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

C15H20ClN3 — CID 121235975

IUPAC2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2cccc(C)c2n1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-4-3-5-13-14(10-12(2)17-15(11)13)18-8-6-16-7-9-18;/h3-5,10,16H,6-9H2,1-2H3;1H
InChIKeyHQECGMVSYKYJEL-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.68
Rot. Bonds1

About 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121235975) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121235975
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2cccc(C)c2n1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-4-3-5-13-14(10-12(2)17-15(11)13)18-8-6-16-7-9-18;/h3-5,10,16H,6-9H2,1-2H3;1H
InChIKeyHQECGMVSYKYJEL-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 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121235975) is 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)c2cccc(C)c2n1.Cl.
What is the InChIKey of 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is HQECGMVSYKYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-11-4-3-5-13-14(10-12(2)17-15(11)13)18-8-6-16-7-9-18;/h3-5,10,16H,6-9H2,1-2H3;1H.
What are the key properties of 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
2,8-dimethyl-4-piperazin-1-ylquinoline;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 2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121235975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).