[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine

C17H24N4 — CID 106774911

IUPAC[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine
SMILESCCCN1CCN(c2ncc(CN)c3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-2-7-20-8-10-21(11-9-20)17-16-6-4-3-5-15(16)14(12-18)13-19-17/h3-6,13H,2,7-12,18H2,1H3
InChIKeyKDIMTZYRXBHDKR-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.23
Rot. Bonds4

About [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine

[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106774911) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106774911
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine
SMILESCCCN1CCN(c2ncc(CN)c3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-2-7-20-8-10-21(11-9-20)17-16-6-4-3-5-15(16)14(12-18)13-19-17/h3-6,13H,2,7-12,18H2,1H3
InChIKeyKDIMTZYRXBHDKR-UHFFFAOYSA-N
XLogP2.23
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine (CID 106774911) is [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine is CCCN1CCN(c2ncc(CN)c3ccccc23)CC1.
What is the InChIKey of [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is KDIMTZYRXBHDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-7-20-8-10-21(11-9-20)17-16-6-4-3-5-15(16)14(12-18)13-19-17/h3-6,13H,2,7-12,18H2,1H3.
What are the key properties of [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine?
[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106774911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).