1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline

C20H21N3 — CID 10086349

IUPAC1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline
SMILESCN1CCN(c2nc(-c3ccccc3)cc3ccccc23)CC1
InChIInChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-18-10-6-5-9-17(18)15-19(21-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyIWNXRLLJQNKLRQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline

1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline (PubChem CID 10086349) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline
PubChem CID10086349
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline
SMILESCN1CCN(c2nc(-c3ccccc3)cc3ccccc23)CC1
InChIInChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-18-10-6-5-9-17(18)15-19(21-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyIWNXRLLJQNKLRQ-UHFFFAOYSA-N
XLogP3.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline (CID 10086349) is 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline is CN1CCN(c2nc(-c3ccccc3)cc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline?
The InChIKey is IWNXRLLJQNKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-18-10-6-5-9-17(18)15-19(21-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline?
1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline has a molecular weight of 303.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-phenylisoquinoline is sourced from PubChem (CID 10086349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).