8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine

C16H22N4 — CID 103137737

IUPAC8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCCN2CCCCC2)c2cnccc12
InChIInChI=1S/C16H22N4/c17-15-4-5-16(14-12-18-7-6-13(14)15)19-8-11-20-9-2-1-3-10-20/h4-7,12,19H,1-3,8-11,17H2
InChIKeySULGBJYYJGOHHE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds4

About 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine

8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine (PubChem CID 103137737) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
PubChem CID103137737
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCCN2CCCCC2)c2cnccc12
InChIInChI=1S/C16H22N4/c17-15-4-5-16(14-12-18-7-6-13(14)15)19-8-11-20-9-2-1-3-10-20/h4-7,12,19H,1-3,8-11,17H2
InChIKeySULGBJYYJGOHHE-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine (CID 103137737) is 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine is Nc1ccc(NCCN2CCCCC2)c2cnccc12.
What is the InChIKey of 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine?
The InChIKey is SULGBJYYJGOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-15-4-5-16(14-12-18-7-6-13(14)15)19-8-11-20-9-2-1-3-10-20/h4-7,12,19H,1-3,8-11,17H2.
What are the key properties of 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine?
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103137737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).