(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

C19H19F4N2O+ — CID 4755342

IUPAC(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H18F4N2O/c20-17-3-1-2-15(12-17)18(26)25-10-8-24(9-11-25)13-14-4-6-16(7-5-14)19(21,22)23/h1-7,12H,8-11,13H2/p+1
InChIKeyLIGSQNLZDSLOEO-UHFFFAOYSA-O
MW367.37 g/mol
LogP2.39
Rot. Bonds3

About (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 4755342) has the molecular formula C19H19F4N2O+ and a molecular weight of 367.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
PubChem CID4755342
Molecular FormulaC19H19F4N2O+
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H18F4N2O/c20-17-3-1-2-15(12-17)18(26)25-10-8-24(9-11-25)13-14-4-6-16(7-5-14)19(21,22)23/h1-7,12H,8-11,13H2/p+1
InChIKeyLIGSQNLZDSLOEO-UHFFFAOYSA-O
XLogP2.39
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methoxyphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 4754563
[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone
CID 2165679
(3-fluorophenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 3683624
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 9021239
[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone
CID 4744212
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
4-[3-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 119184995
(3,4-dimethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4748211
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone (CID 4755342) is (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone is O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is LIGSQNLZDSLOEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18F4N2O/c20-17-3-1-2-15(12-17)18(26)25-10-8-24(9-11-25)13-14-4-6-16(7-5-14)19(21,22)23/h1-7,12H,8-11,13H2/p+1.
What are the key properties of (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone?
(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 4755342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).