4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C16H25N3 — CID 63940134

IUPAC4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c1-13(2)18-7-9-19(10-8-18)16-12-17-11-14-5-3-4-6-15(14)16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyPBYUFGRDIKQHAS-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.86
Rot. Bonds2

About 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63940134) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63940134
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c1-13(2)18-7-9-19(10-8-18)16-12-17-11-14-5-3-4-6-15(14)16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyPBYUFGRDIKQHAS-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63940134) is 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCN(C2CNCc3ccccc32)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PBYUFGRDIKQHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)18-7-9-19(10-8-18)16-12-17-11-14-5-3-4-6-15(14)16/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63940134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).