2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol

C16H23N3O — CID 178036732

IUPAC2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol
SMILESCc1cc2c(c(N3CCN(CCO)CC3)n1)=CCCC=2
InChIInChI=1S/C16H23N3O/c1-13-12-14-4-2-3-5-15(14)16(17-13)19-8-6-18(7-9-19)10-11-20/h4-5,12,20H,2-3,6-11H2,1H3
InChIKeyNBXTZWWCMJQRJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.14
Rot. Bonds3

About 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol

2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol (PubChem CID 178036732) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol
PubChem CID178036732
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol
SMILESCc1cc2c(c(N3CCN(CCO)CC3)n1)=CCCC=2
InChIInChI=1S/C16H23N3O/c1-13-12-14-4-2-3-5-15(14)16(17-13)19-8-6-18(7-9-19)10-11-20/h4-5,12,20H,2-3,6-11H2,1H3
InChIKeyNBXTZWWCMJQRJL-UHFFFAOYSA-N
XLogP-0.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-2-methylpiperazin-1-yl]ethanol
CID 142510945
2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
CID 142511088
2-[4-[4-cyclobutylidene-2-[N-methyl-C-[(1E)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
CID 142511443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol (CID 178036732) is 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol is Cc1cc2c(c(N3CCN(CCO)CC3)n1)=CCCC=2.
What is the InChIKey of 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol?
The InChIKey is NBXTZWWCMJQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-12-14-4-2-3-5-15(14)16(17-13)19-8-6-18(7-9-19)10-11-20/h4-5,12,20H,2-3,6-11H2,1H3.
What are the key properties of 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol?
2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol has a molecular weight of 273.38 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-6,7-dihydroisoquinolin-1-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 178036732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).