(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone

C18H16F4N2O — CID 23736422

IUPAC(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H16F4N2O/c19-14-2-4-15(20)13(9-14)11-23-5-7-24(8-6-23)18(25)12-1-3-16(21)17(22)10-12/h1-4,9-10H,5-8,11H2
InChIKeyYTTPYNMQCQROAU-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.20
Rot. Bonds3

About (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 23736422) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID23736422
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H16F4N2O/c19-14-2-4-15(20)13(9-14)11-23-5-7-24(8-6-23)18(25)12-1-3-16(21)17(22)10-12/h1-4,9-10H,5-8,11H2
InChIKeyYTTPYNMQCQROAU-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23824420
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23792504
(3,4-difluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9069694
7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166338147
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705338
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336063
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanenitrile
CID 28705418

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (CID 23736422) is (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is YTTPYNMQCQROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c19-14-2-4-15(20)13(9-14)11-23-5-7-24(8-6-23)18(25)12-1-3-16(21)17(22)10-12/h1-4,9-10H,5-8,11H2.
What are the key properties of (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 352.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 23736422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).