(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C16H16BrFN2OS — CID 31328462

IUPAC(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H16BrFN2OS/c17-15-10-12(18)3-4-14(15)16(21)20-7-5-19(6-8-20)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2
InChIKeyIGJNYJWAQXRNEP-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.61
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 31328462) has the molecular formula C16H16BrFN2OS and a molecular weight of 383.29 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID31328462
Molecular FormulaC16H16BrFN2OS
Molecular Weight383.29 g/mol
Exact Mass382.02
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H16BrFN2OS/c17-15-10-12(18)3-4-14(15)16(21)20-7-5-19(6-8-20)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2
InChIKeyIGJNYJWAQXRNEP-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
1-[(2-bromo-4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine
CID 55502518
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17477211
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
(2,4-dibromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 155541603
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60667451
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(thiophen-2-ylmethyl)phenyl]methanone
CID 91950349
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 31328462) is (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1Br)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IGJNYJWAQXRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2OS/c17-15-10-12(18)3-4-14(15)16(21)20-7-5-19(6-8-20)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 383.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 31328462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).