7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

C15H23N3 — CID 81214534

IUPAC7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CN(c2ccc3c(c2)NCCC3)CCN1C
InChIInChI=1S/C15H23N3/c1-12-11-18(9-8-17(12)2)14-6-5-13-4-3-7-16-15(13)10-14/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyGFOJQOOBEDSAQS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.18
Rot. Bonds1

About 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81214534) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81214534
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CN(c2ccc3c(c2)NCCC3)CCN1C
InChIInChI=1S/C15H23N3/c1-12-11-18(9-8-17(12)2)14-6-5-13-4-3-7-16-15(13)10-14/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyGFOJQOOBEDSAQS-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81214534) is 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is CC1CN(c2ccc3c(c2)NCCC3)CCN1C.
What is the InChIKey of 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GFOJQOOBEDSAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-11-18(9-8-17(12)2)14-6-5-13-4-3-7-16-15(13)10-14/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.37 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81214534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).