(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

C19H22FN2O2+ — CID 3348086

IUPAC(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
SMILESCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3/p+1
InChIKeyVFGMWLZEKCNTLP-UHFFFAOYSA-O
MW329.40 g/mol
LogP1.38
Rot. Bonds4

About (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 3348086) has the molecular formula C19H22FN2O2+ and a molecular weight of 329.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
PubChem CID3348086
Molecular FormulaC19H22FN2O2+
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
SMILESCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3/p+1
InChIKeyVFGMWLZEKCNTLP-UHFFFAOYSA-O
XLogP1.38
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214
[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone
CID 4755378
[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone
CID 4754515
[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone
CID 4748717
(4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methylphenyl)methanone
CID 9041611
naphthalen-1-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7324221
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9077159
(3,5-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 4744262
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone
CID 4744212
(E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylsulfanylprop-2-en-1-one
CID 9077269
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone (CID 3348086) is (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone is COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is VFGMWLZEKCNTLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O2/c1-24-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3/p+1.
What are the key properties of (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone?
(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 3348086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).