(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol

C23H27N3O — CID 99792215

IUPAC(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol
SMILESO[C@H](CCc1ccccc1)CN1CCN(c2cncc3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c27-21(11-10-19-6-2-1-3-7-19)18-25-12-14-26(15-13-25)23-17-24-16-20-8-4-5-9-22(20)23/h1-9,16-17,21,27H,10-15,18H2/t21-/m1/s1
InChIKeyIGEPKODFJQMNPH-OAQYLSRUSA-N
MW361.49 g/mol
LogP3.35
Rot. Bonds6

About (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol

(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol (PubChem CID 99792215) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol
PubChem CID99792215
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol
SMILESO[C@H](CCc1ccccc1)CN1CCN(c2cncc3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c27-21(11-10-19-6-2-1-3-7-19)18-25-12-14-26(15-13-25)23-17-24-16-20-8-4-5-9-22(20)23/h1-9,16-17,21,27H,10-15,18H2/t21-/m1/s1
InChIKeyIGEPKODFJQMNPH-OAQYLSRUSA-N
XLogP3.35
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol with MolForge

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Related Compounds

4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
(2S)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 100683014
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
3-(3-fluorophenyl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 126766788
(2S)-2-hydroxy-2-[1-[(2R)-2-hydroxy-4-phenylbutyl]piperidin-4-yl]acetamide
CID 129489903
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 143402498
3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
CID 146130699
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-amino-3-(4-isoquinolin-1-ylpiperazin-1-yl)propan-2-ol
CID 121415522
2-(1H-indol-3-yl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)ethanone
CID 99791369
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol (CID 99792215) is (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol is O[C@H](CCc1ccccc1)CN1CCN(c2cncc3ccccc23)CC1.
What is the InChIKey of (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol?
The InChIKey is IGEPKODFJQMNPH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O/c27-21(11-10-19-6-2-1-3-7-19)18-25-12-14-26(15-13-25)23-17-24-16-20-8-4-5-9-22(20)23/h1-9,16-17,21,27H,10-15,18H2/t21-/m1/s1.
What are the key properties of (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol?
(2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol has a molecular weight of 361.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 99792215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).