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

C22H25FN2O — CID 43926265

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCc2ccccc21
InChIInChI=1S/C22H25FN2O/c23-20-11-3-1-8-18(20)15-24-13-5-10-19(16-24)22(26)25-14-6-9-17-7-2-4-12-21(17)25/h1-4,7-8,11-12,19H,5-6,9-10,13-16H2
InChIKeyLZLXFMJVYZAPRF-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.02
Rot. Bonds3

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

3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 43926265) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID43926265
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCc2ccccc21
InChIInChI=1S/C22H25FN2O/c23-20-11-3-1-8-18(20)15-24-13-5-10-19(16-24)22(26)25-14-6-9-17-7-2-4-12-21(17)25/h1-4,7-8,11-12,19H,5-6,9-10,13-16H2
InChIKeyLZLXFMJVYZAPRF-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
3,4-dihydro-2H-quinolin-1-yl-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930099
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 109135933
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 43926265) is 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is LZLXFMJVYZAPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-11-3-1-8-18(20)15-24-13-5-10-19(16-24)22(26)25-14-6-9-17-7-2-4-12-21(17)25/h1-4,7-8,11-12,19H,5-6,9-10,13-16H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 352.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43926265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).