(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C17H25N3O — CID 63620366

IUPAC(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCN(C)C(C)C2)c2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-12-10-15(14-6-4-5-7-16(14)18-12)17(21)20-9-8-19(3)13(2)11-20/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyUKBIPQPIOOYBIP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.14
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 63620366) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID63620366
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCN(C)C(C)C2)c2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-12-10-15(14-6-4-5-7-16(14)18-12)17(21)20-9-8-19(3)13(2)11-20/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyUKBIPQPIOOYBIP-UHFFFAOYSA-N
XLogP2.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 63620366) is (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC1CC(C(=O)N2CCN(C)C(C)C2)c2ccccc2N1.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is UKBIPQPIOOYBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-15(14-6-4-5-7-16(14)18-12)17(21)20-9-8-19(3)13(2)11-20/h4-7,12-13,15,18H,8-11H2,1-3H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 63620366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).