(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

C15H15BrClFN2OS — CID 120737625

IUPAC(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1csc(Br)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14BrFN2OS.ClH/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10;/h1-3,6-7,9,13,18H,4-5,8H2;1H
InChIKeyLMQACEQCXXKBCE-UHFFFAOYSA-N
MW405.72 g/mol
LogP3.86
Rot. Bonds2

About (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120737625) has the molecular formula C15H15BrClFN2OS and a molecular weight of 405.72 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120737625
Molecular FormulaC15H15BrClFN2OS
Molecular Weight405.72 g/mol
Exact Mass403.98
IUPAC Name(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1csc(Br)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14BrFN2OS.ClH/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10;/h1-3,6-7,9,13,18H,4-5,8H2;1H
InChIKeyLMQACEQCXXKBCE-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736646
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
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
[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
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120737625) is (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1csc(Br)c1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is LMQACEQCXXKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS.ClH/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10;/h1-3,6-7,9,13,18H,4-5,8H2;1H.
What are the key properties of (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 405.72 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120737625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).