[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone

C27H28FNO2 — CID 10136736

IUPAC[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccc(F)cc1
InChIInChI=1S/C27H28FNO2/c28-23-15-13-21(14-16-23)20-31-19-17-24-10-6-7-18-29(24)27(30)26-12-5-4-11-25(26)22-8-2-1-3-9-22/h1-5,8-9,11-16,24H,6-7,10,17-20H2
InChIKeyWJJMQSRREBMKSG-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.09
Rot. Bonds7

About [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone

[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 10136736) has the molecular formula C27H28FNO2 and a molecular weight of 417.52 g/mol. Its IUPAC name is [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID10136736
Molecular FormulaC27H28FNO2
Molecular Weight417.52 g/mol
Exact Mass417.21
IUPAC Name[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccc(F)cc1
InChIInChI=1S/C27H28FNO2/c28-23-15-13-21(14-16-23)20-31-19-17-24-10-6-7-18-29(24)27(30)26-12-5-4-11-25(26)22-8-2-1-3-9-22/h1-5,8-9,11-16,24H,6-7,10,17-20H2
InChIKeyWJJMQSRREBMKSG-UHFFFAOYSA-N
XLogP6.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 10224695
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 14068808
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
benzyl (2R)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperidine-1-carboxylate
CID 129385196

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone (CID 10136736) is [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOCc1ccc(F)cc1.
What is the InChIKey of [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is WJJMQSRREBMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO2/c28-23-15-13-21(14-16-23)20-31-19-17-24-10-6-7-18-29(24)27(30)26-12-5-4-11-25(26)22-8-2-1-3-9-22/h1-5,8-9,11-16,24H,6-7,10,17-20H2.
What are the key properties of [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 417.52 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 10136736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).