(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one

C22H26FNO2 — CID 28567351

IUPAC(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26FNO2/c1-2-21(26-20-10-8-19(23)9-11-20)22(25)24-14-12-18(13-15-24)16-17-6-4-3-5-7-17/h3-11,18,21H,2,12-16H2,1H3/t21-/m1/s1
InChIKeyJQFXAGUBBKUOLA-OAQYLSRUSA-N
MW355.45 g/mol
LogP4.46
Rot. Bonds6

About (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one

(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one (PubChem CID 28567351) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
PubChem CID28567351
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26FNO2/c1-2-21(26-20-10-8-19(23)9-11-20)22(25)24-14-12-18(13-15-24)16-17-6-4-3-5-7-17/h3-11,18,21H,2,12-16H2,1H3/t21-/m1/s1
InChIKeyJQFXAGUBBKUOLA-OAQYLSRUSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 30390452
4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 99958556
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
CID 43875370
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
CID 18096879
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one (CID 28567351) is (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one is CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The InChIKey is JQFXAGUBBKUOLA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-2-21(26-20-10-8-19(23)9-11-20)22(25)24-14-12-18(13-15-24)16-17-6-4-3-5-7-17/h3-11,18,21H,2,12-16H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one has a molecular weight of 355.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one is sourced from PubChem (CID 28567351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).