1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine

C10H14BrClN2S — CID 120837065

IUPAC1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H14BrClN2S/c1-7-5-13-2-3-14(7)6-8-4-9(11)10(12)15-8/h4,7,13H,2-3,5-6H2,1H3
InChIKeyLGQHWCNFNILENX-UHFFFAOYSA-N
MW309.66 g/mol
LogP2.96
Rot. Bonds2

About 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine

1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine (PubChem CID 120837065) has the molecular formula C10H14BrClN2S and a molecular weight of 309.66 g/mol. Its IUPAC name is 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine
PubChem CID120837065
Molecular FormulaC10H14BrClN2S
Molecular Weight309.66 g/mol
Exact Mass307.97
IUPAC Name1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H14BrClN2S/c1-7-5-13-2-3-14(7)6-8-4-9(11)10(12)15-8/h4,7,13H,2-3,5-6H2,1H3
InChIKeyLGQHWCNFNILENX-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine (CID 120837065) is 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine is CC1CNCCN1Cc1cc(Br)c(Cl)s1.
What is the InChIKey of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine?
The InChIKey is LGQHWCNFNILENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2S/c1-7-5-13-2-3-14(7)6-8-4-9(11)10(12)15-8/h4,7,13H,2-3,5-6H2,1H3.
What are the key properties of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine?
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine has a molecular weight of 309.66 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 120837065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).