1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone

C21H23F2NO — CID 10360079

IUPAC1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2
InChIKeyLDOQDGKJZFBHAG-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.49
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone

1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone (PubChem CID 10360079) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
PubChem CID10360079
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2
InChIKeyLDOQDGKJZFBHAG-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
CID 10023485
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-[1-[3-(3,4-dichlorophenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone
CID 142055463
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 171479743
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone (CID 10360079) is 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone is O=C(CC1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone?
The InChIKey is LDOQDGKJZFBHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone?
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone has a molecular weight of 343.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 10360079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).