6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine

C16H22N4 — CID 106948296

IUPAC6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine
SMILESCC1CC(Nc2ccc3cnccc3c2N)CCN1C
InChIInChI=1S/C16H22N4/c1-11-9-13(6-8-20(11)2)19-15-4-3-12-10-18-7-5-14(12)16(15)17/h3-5,7,10-11,13,19H,6,8-9,17H2,1-2H3
InChIKeyGHBPQUCSCFBWDG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds2

About 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine

6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine (PubChem CID 106948296) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine
PubChem CID106948296
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine
SMILESCC1CC(Nc2ccc3cnccc3c2N)CCN1C
InChIInChI=1S/C16H22N4/c1-11-9-13(6-8-20(11)2)19-15-4-3-12-10-18-7-5-14(12)16(15)17/h3-5,7,10-11,13,19H,6,8-9,17H2,1-2H3
InChIKeyGHBPQUCSCFBWDG-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine?
The IUPAC name of 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine (CID 106948296) is 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine is CC1CC(Nc2ccc3cnccc3c2N)CCN1C.
What is the InChIKey of 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine?
The InChIKey is GHBPQUCSCFBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-9-13(6-8-20(11)2)19-15-4-3-12-10-18-7-5-14(12)16(15)17/h3-5,7,10-11,13,19H,6,8-9,17H2,1-2H3.
What are the key properties of 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine?
6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine is sourced from PubChem (CID 106948296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).