6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine

C24H27N3 — CID 10618332

IUPAC6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)cc1
InChIInChI=1S/C24H27N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-3,6-9,11,13H,4-5,10,12,14-18H2
InChIKeyGLPQNNHUGGPKLX-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.44
Rot. Bonds3

About 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine

6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine (PubChem CID 10618332) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
PubChem CID10618332
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)cc1
InChIInChI=1S/C24H27N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-3,6-9,11,13H,4-5,10,12,14-18H2
InChIKeyGLPQNNHUGGPKLX-UHFFFAOYSA-N
XLogP4.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine (CID 10618332) is 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine is c1ccc(CN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)cc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The InChIKey is GLPQNNHUGGPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-2-8-19(9-3-1)18-26-14-16-27(17-15-26)24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-3,6-9,11,13H,4-5,10,12,14-18H2.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine has a molecular weight of 357.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine is sourced from PubChem (CID 10618332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).