[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone

C18H24FNO3 — CID 97155336

IUPAC[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FNO3/c1-13-2-7-17(23-13)18(21)20-10-8-16(9-11-20)22-12-14-3-5-15(19)6-4-14/h3-6,13,16-17H,2,7-12H2,1H3/t13-,17-/m1/s1
InChIKeyICAUXLUXNGIDRX-CXAGYDPISA-N
MW321.39 g/mol
LogP2.90
Rot. Bonds4

About [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone

[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone (PubChem CID 97155336) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone
PubChem CID97155336
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FNO3/c1-13-2-7-17(23-13)18(21)20-10-8-16(9-11-20)22-12-14-3-5-15(19)6-4-14/h3-6,13,16-17H,2,7-12H2,1H3/t13-,17-/m1/s1
InChIKeyICAUXLUXNGIDRX-CXAGYDPISA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone (CID 97155336) is [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone is C[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone?
The InChIKey is ICAUXLUXNGIDRX-CXAGYDPISA-N. The full InChI is InChI=1S/C18H24FNO3/c1-13-2-7-17(23-13)18(21)20-10-8-16(9-11-20)22-12-14-3-5-15(19)6-4-14/h3-6,13,16-17H,2,7-12H2,1H3/t13-,17-/m1/s1.
What are the key properties of [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone?
[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone has a molecular weight of 321.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[(2R,5R)-5-methyloxolan-2-yl]methanone is sourced from PubChem (CID 97155336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).