2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol

C23H27N3O — CID 166245719

IUPAC2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(-c2ccc3cnccc3c2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C23H27N3O/c1-18(26-12-10-25(11-13-26)14-15-27)19-2-4-20(5-3-19)21-6-7-23-17-24-9-8-22(23)16-21/h2-9,16-18,27H,10-15H2,1H3
InChIKeyJWLPUEQNBLYNDI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.57
Rot. Bonds5

About 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol

2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol (PubChem CID 166245719) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol
PubChem CID166245719
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(-c2ccc3cnccc3c2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C23H27N3O/c1-18(26-12-10-25(11-13-26)14-15-27)19-2-4-20(5-3-19)21-6-7-23-17-24-9-8-22(23)16-21/h2-9,16-18,27H,10-15H2,1H3
InChIKeyJWLPUEQNBLYNDI-UHFFFAOYSA-N
XLogP3.57
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
7-phenyl-N-[(3S)-piperidin-3-yl]isoquinolin-5-amine
CID 156011444
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948234
4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950875
4-[[4-(5,7-Dimethyl-4-phenyl-6-quinolyl)phenyl]methyl]morpholine
CID 126594047
2-Azachrysene
CID 9172
(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
3-(Isoquinolin-7-Yl)prop-2-Yn-1-Ol
CID 78350469
4-(4-Methyl-piperazin-1-yl)-benzo[h]quinoline
CID 10588588
2-[1-Isobutyl-4-(6-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188422
{1-(Isoquinolin-5-ylmethyl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16190347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol (CID 166245719) is 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol is CC(c1ccc(-c2ccc3cnccc3c2)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol?
The InChIKey is JWLPUEQNBLYNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(26-12-10-25(11-13-26)14-15-27)19-2-4-20(5-3-19)21-6-7-23-17-24-9-8-22(23)16-21/h2-9,16-18,27H,10-15H2,1H3.
What are the key properties of 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol?
2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol has a molecular weight of 361.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 166245719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).