5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride

C17H24ClN3 — CID 23321153

IUPAC5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride
SMILESCCc1ccc(CC)c2cc(N3CCNCC3)ncc12.Cl
InChIInChI=1S/C17H23N3.ClH/c1-3-13-5-6-14(4-2)16-12-19-17(11-15(13)16)20-9-7-18-8-10-20;/h5-6,11-12,18H,3-4,7-10H2,1-2H3;1H
InChIKeyAGGOKCGCJZJTDQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.19
Rot. Bonds3

About 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride

5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride (PubChem CID 23321153) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride.

Molecular Properties

Compound Name5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride
PubChem CID23321153
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride
SMILESCCc1ccc(CC)c2cc(N3CCNCC3)ncc12.Cl
InChIInChI=1S/C17H23N3.ClH/c1-3-13-5-6-14(4-2)16-12-19-17(11-15(13)16)20-9-7-18-8-10-20;/h5-6,11-12,18H,3-4,7-10H2,1-2H3;1H
InChIKeyAGGOKCGCJZJTDQ-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
CID 67380857
6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321160
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
CID 139530958
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
CID 12804052
1-(4-ethyl-2,3-dimethylphenyl)piperazine
CID 138531661
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989

Frequently Asked Questions

What is the IUPAC name of 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The IUPAC name of 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride (CID 23321153) is 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride.
What is the SMILES notation for 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The canonical SMILES for 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride is CCc1ccc(CC)c2cc(N3CCNCC3)ncc12.Cl.
What is the InChIKey of 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
The InChIKey is AGGOKCGCJZJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/c1-3-13-5-6-14(4-2)16-12-19-17(11-15(13)16)20-9-7-18-8-10-20;/h5-6,11-12,18H,3-4,7-10H2,1-2H3;1H.
What are the key properties of 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride?
5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride is sourced from PubChem (CID 23321153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).