1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol

C16H18N2O — CID 83132282

IUPAC1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H18N2O/c1-12(19)16-7-6-15(10-17-16)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyCPOCIBNWLMXNGC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.70
Rot. Bonds2

About 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol

1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol (PubChem CID 83132282) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
PubChem CID83132282
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H18N2O/c1-12(19)16-7-6-15(10-17-16)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyCPOCIBNWLMXNGC-UHFFFAOYSA-N
XLogP2.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
CID 83131847
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 137407156
(1S)-1-[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]ethanol
CID 83132492
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol (CID 83132282) is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol is CC(O)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol?
The InChIKey is CPOCIBNWLMXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)16-7-6-15(10-17-16)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10,12,19H,8-9,11H2,1H3.
What are the key properties of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol?
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83132282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).