[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone

C18H18F2N2O — CID 119401901

IUPAC[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCNCC2)cc1F
InChIInChI=1S/C18H18F2N2O/c1-12-10-14(19)3-5-15(12)16-4-2-13(11-17(16)20)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeyRHUVXKFKKCFHRW-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.99
Rot. Bonds2

About [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone

[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone (PubChem CID 119401901) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
PubChem CID119401901
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCNCC2)cc1F
InChIInChI=1S/C18H18F2N2O/c1-12-10-14(19)3-5-15(12)16-4-2-13(11-17(16)20)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeyRHUVXKFKKCFHRW-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
CID 119167628
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
CID 119632720
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
(3-fluoro-4-nitrophenyl)-piperazin-1-ylmethanone
CID 86004677
N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
CID 166209290
(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 59295895
1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 55025671
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone (CID 119401901) is [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCNCC2)cc1F.
What is the InChIKey of [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is RHUVXKFKKCFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12-10-14(19)3-5-15(12)16-4-2-13(11-17(16)20)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone?
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 316.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).