(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

C19H19F2NO2 — CID 46028680

IUPAC(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C19H19F2NO2/c20-16-7-3-6-14(11-16)19(23)22-10-4-8-17(12-22)24-13-15-5-1-2-9-18(15)21/h1-3,5-7,9,11,17H,4,8,10,12-13H2
InChIKeyDWXLUSRJECJHGM-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.79
Rot. Bonds4

About (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028680) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028680
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C19H19F2NO2/c20-16-7-3-6-14(11-16)19(23)22-10-4-8-17(12-22)24-13-15-5-1-2-9-18(15)21/h1-3,5-7,9,11,17H,4,8,10,12-13H2
InChIKeyDWXLUSRJECJHGM-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223844
[(3R)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223845
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 93223537

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (CID 46028680) is (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(OCc2ccccc2F)C1.
What is the InChIKey of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is DWXLUSRJECJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-16-7-3-6-14(11-16)19(23)22-10-4-8-17(12-22)24-13-15-5-1-2-9-18(15)21/h1-3,5-7,9,11,17H,4,8,10,12-13H2.
What are the key properties of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 331.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).