[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

C15H16ClFN2OS — CID 120736351

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H15FN2OS.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-4,7-8,10,14,17H,5-6,9H2;1H
InChIKeyCRLAJTSJBXEJSR-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.10
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (PubChem CID 120736351) has the molecular formula C15H16ClFN2OS and a molecular weight of 326.82 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
PubChem CID120736351
Molecular FormulaC15H16ClFN2OS
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H15FN2OS.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-4,7-8,10,14,17H,5-6,9H2;1H
InChIKeyCRLAJTSJBXEJSR-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (CID 120736351) is [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is Cl.O=C(c1ccsc1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is CRLAJTSJBXEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-4,7-8,10,14,17H,5-6,9H2;1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 120736351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).