8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline

C20H21N3 — CID 166267423

IUPAC8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
SMILESc1ccc(C2CNCCN2Cc2cccc3ccncc23)cc1
InChIInChI=1S/C20H21N3/c1-2-5-17(6-3-1)20-14-22-11-12-23(20)15-18-8-4-7-16-9-10-21-13-19(16)18/h1-10,13,20,22H,11-12,14-15H2
InChIKeyFOXYPBXECJSDAT-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.38
Rot. Bonds3

About 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline

8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline (PubChem CID 166267423) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline.

Molecular Properties

Compound Name8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
PubChem CID166267423
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
SMILESc1ccc(C2CNCCN2Cc2cccc3ccncc23)cc1
InChIInChI=1S/C20H21N3/c1-2-5-17(6-3-1)20-14-22-11-12-23(20)15-18-8-4-7-16-9-10-21-13-19(16)18/h1-10,13,20,22H,11-12,14-15H2
InChIKeyFOXYPBXECJSDAT-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910679
1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767925
1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754669
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
CID 120767732
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881

Frequently Asked Questions

What is the IUPAC name of 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline?
The IUPAC name of 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline (CID 166267423) is 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline.
What is the SMILES notation for 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline?
The canonical SMILES for 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline is c1ccc(C2CNCCN2Cc2cccc3ccncc23)cc1.
What is the InChIKey of 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline?
The InChIKey is FOXYPBXECJSDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-5-17(6-3-1)20-14-22-11-12-23(20)15-18-8-4-7-16-9-10-21-13-19(16)18/h1-10,13,20,22H,11-12,14-15H2.
What are the key properties of 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline?
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline has a molecular weight of 303.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline is sourced from PubChem (CID 166267423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).