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

C17H27N3 — CID 65262220

IUPAC4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-16-13-18-12-15-5-3-4-6-17(15)16/h3-6,16,18H,2,7-14H2,1H3
InChIKeyJDYQFYFJYNICKN-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.90
Rot. Bonds4

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

4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 65262220) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID65262220
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-16-13-18-12-15-5-3-4-6-17(15)16/h3-6,16,18H,2,7-14H2,1H3
InChIKeyJDYQFYFJYNICKN-UHFFFAOYSA-N
XLogP1.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
7,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)-1,4-thiazepane
CID 107456239
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 65261901
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505002
4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262029
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 65262220) is 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CCCN1CCN(CC2CNCc3ccccc32)CC1.
What is the InChIKey of 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JDYQFYFJYNICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-16-13-18-12-15-5-3-4-6-17(15)16/h3-6,16,18H,2,7-14H2,1H3.
What are the key properties of 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 65262220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).