2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline

C22H28N2 — CID 613365

IUPAC2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline
SMILESCC1(C)Cc2c(ccc3ccccc23)C(CCN2CCCCC2)=N1
InChIInChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKeyJEQBWWPAELPHQM-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.84
Rot. Bonds3

About 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline

2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline (PubChem CID 613365) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline
PubChem CID613365
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline
SMILESCC1(C)Cc2c(ccc3ccccc23)C(CCN2CCCCC2)=N1
InChIInChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKeyJEQBWWPAELPHQM-UHFFFAOYSA-N
XLogP4.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline?
The IUPAC name of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline (CID 613365) is 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline.
What is the SMILES notation for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline?
The canonical SMILES for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline is CC1(C)Cc2c(ccc3ccccc23)C(CCN2CCCCC2)=N1.
What is the InChIKey of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline?
The InChIKey is JEQBWWPAELPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline?
2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline has a molecular weight of 320.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)-1H-benzo[f]isoquinoline is sourced from PubChem (CID 613365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).