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

C18H17BrF2N2O — CID 23824420

IUPAC(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17BrF2N2O/c19-15-3-1-13(2-4-15)18(24)23-9-7-22(8-10-23)12-14-11-16(20)5-6-17(14)21/h1-6,11H,7-10,12H2
InChIKeyLRISDOMNWJCKGG-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.69
Rot. Bonds3

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

(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 23824420) has the molecular formula C18H17BrF2N2O and a molecular weight of 395.25 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID23824420
Molecular FormulaC18H17BrF2N2O
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17BrF2N2O/c19-15-3-1-13(2-4-15)18(24)23-9-7-22(8-10-23)12-14-11-16(20)5-6-17(14)21/h1-6,11H,7-10,12H2
InChIKeyLRISDOMNWJCKGG-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23792504
[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 18135238
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166338147
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 31792217
3-[[4-(4-ethylbenzoyl)piperazin-1-yl]methyl]-4-fluorobenzonitrile
CID 35137953
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (CID 23824420) is (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LRISDOMNWJCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O/c19-15-3-1-13(2-4-15)18(24)23-9-7-22(8-10-23)12-14-11-16(20)5-6-17(14)21/h1-6,11H,7-10,12H2.
What are the key properties of (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 23824420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).