1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol

C24H28N2O — CID 141372977

IUPAC1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCN2CCc3cc(C#Cc4ccccc4)ccc3C2)CC1
InChIInChI=1S/C24H28N2O/c27-24-11-14-25(15-12-24)16-17-26-13-10-22-18-21(8-9-23(22)19-26)7-6-20-4-2-1-3-5-20/h1-5,8-9,18,24,27H,10-17,19H2
InChIKeyWPMAFKWFEJOVKI-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.90
Rot. Bonds3

About 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol

1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol (PubChem CID 141372977) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol
PubChem CID141372977
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCN2CCc3cc(C#Cc4ccccc4)ccc3C2)CC1
InChIInChI=1S/C24H28N2O/c27-24-11-14-25(15-12-24)16-17-26-13-10-22-18-21(8-9-23(22)19-26)7-6-20-4-2-1-3-5-20/h1-5,8-9,18,24,27H,10-17,19H2
InChIKeyWPMAFKWFEJOVKI-UHFFFAOYSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol with MolForge

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Related Compounds

5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
CID 171432789
1-[3-[[6-methyl-2-(2-phenylethynyl)-3-pyridinyl]oxy]propyl]piperidin-4-ol
CID 18763195
1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one
CID 43502658
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
CID 20724148
[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate
CID 87685788
1-[3-(4-chlorophenyl)prop-2-ynyl]piperidin-4-ol
CID 111825435
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
2-[2-(1-aminocyclohexyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 22570212
3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
CID 91787264
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol (CID 141372977) is 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol is OC1CCN(CCN2CCc3cc(C#Cc4ccccc4)ccc3C2)CC1.
What is the InChIKey of 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol?
The InChIKey is WPMAFKWFEJOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c27-24-11-14-25(15-12-24)16-17-26-13-10-22-18-21(8-9-23(22)19-26)7-6-20-4-2-1-3-5-20/h1-5,8-9,18,24,27H,10-17,19H2.
What are the key properties of 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol?
1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol has a molecular weight of 360.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-phenylethynyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 141372977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).