1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one

C18H26FNO2 — CID 93223160

IUPAC1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC[C@H](OCc2ccccc2F)C1
InChIInChI=1S/C18H26FNO2/c1-18(2,3)11-17(21)20-10-6-8-15(12-20)22-13-14-7-4-5-9-16(14)19/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1
InChIKeyGVVQSARSXFWKKW-HNNXBMFYSA-N
MW307.41 g/mol
LogP3.77
Rot. Bonds4

About 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 93223160) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID93223160
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC[C@H](OCc2ccccc2F)C1
InChIInChI=1S/C18H26FNO2/c1-18(2,3)11-17(21)20-10-6-8-15(12-20)22-13-14-7-4-5-9-16(14)19/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1
InChIKeyGVVQSARSXFWKKW-HNNXBMFYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 84755487
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 93223160) is 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC[C@H](OCc2ccccc2F)C1.
What is the InChIKey of 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is GVVQSARSXFWKKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-18(2,3)11-17(21)20-10-6-8-15(12-20)22-13-14-7-4-5-9-16(14)19/h4-5,7,9,15H,6,8,10-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 93223160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).