[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone

C25H24FN2O2+ — CID 9467028

IUPAC[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2/p+1
InChIKeyPOICDEPLDTXXEN-UHFFFAOYSA-O
MW403.48 g/mol
LogP2.60
Rot. Bonds5

About [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone

[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 9467028) has the molecular formula C25H24FN2O2+ and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone
PubChem CID9467028
Molecular FormulaC25H24FN2O2+
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2/p+1
InChIKeyPOICDEPLDTXXEN-UHFFFAOYSA-O
XLogP2.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone
CID 4748717
[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 4742783
1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone
CID 4754589
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 4742864
(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(4-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4742848
4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate
CID 28801028
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone (CID 9467028) is [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1.
What is the InChIKey of [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is POICDEPLDTXXEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2/p+1.
What are the key properties of [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone?
[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 403.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 9467028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).