[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C26H25F2NO2 — CID 170231670

IUPAC[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H25F2NO2/c1-31-24-12-6-21(7-13-24)26(30)29-16-14-20(15-17-29)25(18-2-8-22(27)9-3-18)19-4-10-23(28)11-5-19/h2-13,20,25H,14-17H2,1H3
InChIKeyHGSWGJURYDLOPJ-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.66
Rot. Bonds5

About [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 170231670) has the molecular formula C26H25F2NO2 and a molecular weight of 421.49 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID170231670
Molecular FormulaC26H25F2NO2
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H25F2NO2/c1-31-24-12-6-21(7-13-24)26(30)29-16-14-20(15-17-29)25(18-2-8-22(27)9-3-18)19-4-10-23(28)11-5-19/h2-13,20,25H,14-17H2,1H3
InChIKeyHGSWGJURYDLOPJ-UHFFFAOYSA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46151791
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
CID 153340115
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 170231670) is [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HGSWGJURYDLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO2/c1-31-24-12-6-21(7-13-24)26(30)29-16-14-20(15-17-29)25(18-2-8-22(27)9-3-18)19-4-10-23(28)11-5-19/h2-13,20,25H,14-17H2,1H3.
What are the key properties of [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 421.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 170231670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).