4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline

C17H27N3 — CID 63938599

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CN1CCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-14(2)13-19-7-9-20(10-8-19)17-12-18-11-15-5-3-4-6-16(15)17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyHGCCCCRZGDOSAR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.10
Rot. Bonds3

About 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline

4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63938599) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID63938599
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CN1CCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-14(2)13-19-7-9-20(10-8-19)17-12-18-11-15-5-3-4-6-16(15)17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyHGCCCCRZGDOSAR-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63940134
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63939942
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)morpholine
CID 63940701
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
5-(2-methylpropyl)-2,3,4,6-tetrahydro-1H-2,5-benzodiazocine
CID 117015505
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520
4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938389
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939368

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (CID 63938599) is 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline is CC(C)CN1CCN(C2CNCc3ccccc32)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HGCCCCRZGDOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(2)13-19-7-9-20(10-8-19)17-12-18-11-15-5-3-4-6-16(15)17/h3-6,14,17-18H,7-13H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63938599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).