[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone

C25H24FNO2 — CID 22127779

IUPAC[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(COC2CNCCC2c2ccc(F)cc2)c1
InChIInChI=1S/C25H24FNO2/c26-22-11-9-19(10-12-22)23-13-14-27-16-24(23)29-17-18-5-4-8-21(15-18)25(28)20-6-2-1-3-7-20/h1-12,15,23-24,27H,13-14,16-17H2
InChIKeyRFUODSWMHSEIHH-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.72
Rot. Bonds6

About [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone

[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone (PubChem CID 22127779) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone
PubChem CID22127779
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(COC2CNCCC2c2ccc(F)cc2)c1
InChIInChI=1S/C25H24FNO2/c26-22-11-9-19(10-12-22)23-13-14-27-16-24(23)29-17-18-5-4-8-21(15-18)25(28)20-6-2-1-3-7-20/h1-12,15,23-24,27H,13-14,16-17H2
InChIKeyRFUODSWMHSEIHH-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone (CID 22127779) is [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(COC2CNCCC2c2ccc(F)cc2)c1.
What is the InChIKey of [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone?
The InChIKey is RFUODSWMHSEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO2/c26-22-11-9-19(10-12-22)23-13-14-27-16-24(23)29-17-18-5-4-8-21(15-18)25(28)20-6-2-1-3-7-20/h1-12,15,23-24,27H,13-14,16-17H2.
What are the key properties of [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone?
[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone has a molecular weight of 389.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 22127779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).