[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone

C20H22FNO2 — CID 42844148

IUPAC[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(OCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H22FNO2/c1-15-7-9-17(10-8-15)20(23)22-11-3-6-19(13-22)24-14-16-4-2-5-18(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3
InChIKeyBNEOZASBZCENHY-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.96
Rot. Bonds4

About [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone

[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 42844148) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID42844148
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(OCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H22FNO2/c1-15-7-9-17(10-8-15)20(23)22-11-3-6-19(13-22)24-14-16-4-2-5-18(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3
InChIKeyBNEOZASBZCENHY-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42844155
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
(4-methylphenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
CID 46028932
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
CID 93223584
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
1,3-benzodioxol-5-yl-[(3S)-3-[(3-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223383
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone (CID 42844148) is [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(OCc3cccc(F)c3)C2)cc1.
What is the InChIKey of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is BNEOZASBZCENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15-7-9-17(10-8-15)20(23)22-11-3-6-19(13-22)24-14-16-4-2-5-18(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3.
What are the key properties of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 327.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 42844148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).