[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone

C20H21F2NO2 — CID 93223584

IUPAC[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H21F2NO2/c1-14-4-2-5-16(10-14)20(24)23-9-3-6-17(12-23)25-13-15-7-8-18(21)19(22)11-15/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyMHLGYRAOXLGTEB-KRWDZBQOSA-N
MW345.39 g/mol
LogP4.09
Rot. Bonds4

About [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone

[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 93223584) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID93223584
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H21F2NO2/c1-14-4-2-5-16(10-14)20(24)23-9-3-6-17(12-23)25-13-15-7-8-18(21)19(22)11-15/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyMHLGYRAOXLGTEB-KRWDZBQOSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
1,3-benzodioxol-5-yl-[(3S)-3-[(3-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223383
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone (CID 93223584) is [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1.
What is the InChIKey of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is MHLGYRAOXLGTEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-14-4-2-5-16(10-14)20(24)23-9-3-6-17(12-23)25-13-15-7-8-18(21)19(22)11-15/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone?
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 345.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 93223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).