5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C17H27N3 — CID 142416939

IUPAC5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CN(c2cccc3c2CCNC3)CCN1C
InChIInChI=1S/C17H27N3/c1-3-5-15-13-20(11-10-19(15)2)17-7-4-6-14-12-18-9-8-16(14)17/h4,6-7,15,18H,3,5,8-13H2,1-2H3
InChIKeyACHASKQQRDQFLR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.25
Rot. Bonds3

About 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 142416939) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID142416939
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CN(c2cccc3c2CCNC3)CCN1C
InChIInChI=1S/C17H27N3/c1-3-5-15-13-20(11-10-19(15)2)17-7-4-6-14-12-18-9-8-16(14)17/h4,6-7,15,18H,3,5,8-13H2,1-2H3
InChIKeyACHASKQQRDQFLR-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 142416939) is 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCCC1CN(c2cccc3c2CCNC3)CCN1C.
What is the InChIKey of 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ACHASKQQRDQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-5-15-13-20(11-10-19(15)2)17-7-4-6-14-12-18-9-8-16(14)17/h4,6-7,15,18H,3,5,8-13H2,1-2H3.
What are the key properties of 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 142416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).