[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol

C17H23N3O — CID 63633971

IUPAC[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
SMILESCCC1CN(c2nc(CO)cc3ccccc23)CCN1C
InChIInChI=1S/C17H23N3O/c1-3-15-11-20(9-8-19(15)2)17-16-7-5-4-6-13(16)10-14(12-21)18-17/h4-7,10,15,21H,3,8-9,11-12H2,1-2H3
InChIKeyAHRYMHRBQFUSJR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds3

About [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol

[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol (PubChem CID 63633971) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
PubChem CID63633971
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
SMILESCCC1CN(c2nc(CO)cc3ccccc23)CCN1C
InChIInChI=1S/C17H23N3O/c1-3-15-11-20(9-8-19(15)2)17-16-7-5-4-6-13(16)10-14(12-21)18-17/h4-7,10,15,21H,3,8-9,11-12H2,1-2H3
InChIKeyAHRYMHRBQFUSJR-UHFFFAOYSA-N
XLogP2.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol (CID 63633971) is [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol is CCC1CN(c2nc(CO)cc3ccccc23)CCN1C.
What is the InChIKey of [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol?
The InChIKey is AHRYMHRBQFUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-15-11-20(9-8-19(15)2)17-16-7-5-4-6-13(16)10-14(12-21)18-17/h4-7,10,15,21H,3,8-9,11-12H2,1-2H3.
What are the key properties of [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol?
[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol is sourced from PubChem (CID 63633971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).