(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone

C20H24FN2O+ — CID 4743163

IUPAC(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O/c21-19-10-8-18(9-11-19)20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2/p+1
InChIKeySXLJDHZUHDDLCC-UHFFFAOYSA-O
MW327.42 g/mol
LogP1.80
Rot. Bonds5

About (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone

(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone (PubChem CID 4743163) has the molecular formula C20H24FN2O+ and a molecular weight of 327.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone
PubChem CID4743163
Molecular FormulaC20H24FN2O+
Molecular Weight327.42 g/mol
Exact Mass327.19
IUPAC Name(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O/c21-19-10-8-18(9-11-19)20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2/p+1
InChIKeySXLJDHZUHDDLCC-UHFFFAOYSA-O
XLogP1.80
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
(4-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4742848
N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
CID 7189289
(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 4753830
(3,4-diethoxyphenyl)-[4-(2-phenylethyl)piperazin-4-ium-1-yl]methanone
CID 7346840
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
(4-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 3684044
[4-(2-phenylethyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 7162031
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone (CID 4743163) is (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone?
The InChIKey is SXLJDHZUHDDLCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN2O/c21-19-10-8-18(9-11-19)20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2/p+1.
What are the key properties of (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone?
(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone has a molecular weight of 327.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 4743163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).