1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol

C21H25FN2O — CID 156517660

IUPAC1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1CCc2c(F)cccc2C1
InChIInChI=1S/C21H25FN2O/c22-19-8-4-7-17-14-24(12-9-18(17)19)20-10-11-23(15-21(20)25)13-16-5-2-1-3-6-16/h1-8,20-21,25H,9-15H2
InChIKeyHETYZQRUMCWXJF-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.82
Rot. Bonds3

About 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol

1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (PubChem CID 156517660) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
PubChem CID156517660
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1CCc2c(F)cccc2C1
InChIInChI=1S/C21H25FN2O/c22-19-8-4-7-17-14-24(12-9-18(17)19)20-10-11-23(15-21(20)25)13-16-5-2-1-3-6-16/h1-8,20-21,25H,9-15H2
InChIKeyHETYZQRUMCWXJF-UHFFFAOYSA-N
XLogP2.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
5-fluoro-2-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 164880651
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
(3S,4S)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 133122430
1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
CID 142663954
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 24782861
(3R,4R)-1-[(3-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 11743349
(3R,4R)-1-[(4-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 10410357

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (CID 156517660) is 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is OC1CN(Cc2ccccc2)CCC1N1CCc2c(F)cccc2C1.
What is the InChIKey of 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The InChIKey is HETYZQRUMCWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-19-8-4-7-17-14-24(12-9-18(17)19)20-10-11-23(15-21(20)25)13-16-5-2-1-3-6-16/h1-8,20-21,25H,9-15H2.
What are the key properties of 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol has a molecular weight of 340.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 156517660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).