[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

C19H18F3NO2 — CID 93223806

IUPAC[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H18F3NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2/t17-/m0/s1
InChIKeyYIOJQPCKBUPNID-KRWDZBQOSA-N
MW349.35 g/mol
LogP3.93
Rot. Bonds4

About [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 93223806) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID93223806
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H18F3NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2/t17-/m0/s1
InChIKeyYIOJQPCKBUPNID-KRWDZBQOSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 93223537
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46153756
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 93223806) is [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](OCc2cc(F)ccc2F)C1.
What is the InChIKey of [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is YIOJQPCKBUPNID-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2/t17-/m0/s1.
What are the key properties of [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 349.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 93223806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).