3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

C22H25FN2O — CID 1400992

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25FN2O/c23-21-10-4-3-8-19(21)14-24-12-5-9-20(15-24)22(26)25-13-11-17-6-1-2-7-18(17)16-25/h1-4,6-8,10,20H,5,9,11-16H2/t20-/m1/s1
InChIKeyUFFZQDPZWYJGEY-HXUWFJFHSA-N
MW352.45 g/mol
LogP3.62
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 1400992) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID1400992
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25FN2O/c23-21-10-4-3-8-19(21)14-24-12-5-9-20(15-24)22(26)25-13-11-17-6-1-2-7-18(17)16-25/h1-4,6-8,10,20H,5,9,11-16H2/t20-/m1/s1
InChIKeyUFFZQDPZWYJGEY-HXUWFJFHSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]methanone
CID 1423796
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3751889
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 7344831
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
3,4-dihydro-1H-isoquinolin-2-yl-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 2903769
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 1400992) is 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is UFFZQDPZWYJGEY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-21-10-4-3-8-19(21)14-24-12-5-9-20(15-24)22(26)25-13-11-17-6-1-2-7-18(17)16-25/h1-4,6-8,10,20H,5,9,11-16H2/t20-/m1/s1.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 352.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 1400992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).