(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C21H23F2NO2 — CID 53037951

IUPAC(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C21H23F2NO2/c22-19-6-4-18(5-7-19)21(25)24-11-8-16(9-12-24)10-13-26-15-17-2-1-3-20(23)14-17/h1-7,14,16H,8-13,15H2
InChIKeyPHQBNYQTSOVAGF-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.42
Rot. Bonds6

About (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53037951) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53037951
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C21H23F2NO2/c22-19-6-4-18(5-7-19)21(25)24-11-8-16(9-12-24)10-13-26-15-17-2-1-3-20(23)14-17/h1-7,14,16H,8-13,15H2
InChIKeyPHQBNYQTSOVAGF-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.42
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-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
4-[4-(2-Oxazolin-2-yl)benzylidene]-1-(4-trifluoromethylbenzoyl)piperidine
CID 15231386
Methyl 3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzoate
CID 72195505
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
1-Benzyl-piperidin-4-yl benzoate
CID 15124790
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
Methyl 4-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]benzoate;hydrochloride
CID 45265138
3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
CID 57403173
2-[(4-Fluorobenzoyl)amino]ethyl 4-fluorobenzoate
CID 22310468
Phenyl(2-phenyl-1,3-oxazinan-3-yl)methanone
CID 653321
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 2333993
2-[Benzyl(methyl)amino]ethyl 3-fluorobenzoate hydrochloride
CID 2910489

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53037951) is (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is PHQBNYQTSOVAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-19-6-4-18(5-7-19)21(25)24-11-8-16(9-12-24)10-13-26-15-17-2-1-3-20(23)14-17/h1-7,14,16H,8-13,15H2.
What are the key properties of (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 359.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53037951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).