1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine

C15H25BrN2S — CID 64850024

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1sccc1Br
InChIInChI=1S/C15H25BrN2S/c1-4-6-12-9-17-15(3,5-2)11-18(12)10-14-13(16)7-8-19-14/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyKTEOUNOQUNGXCI-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.25
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine (PubChem CID 64850024) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
PubChem CID64850024
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1sccc1Br
InChIInChI=1S/C15H25BrN2S/c1-4-6-12-9-17-15(3,5-2)11-18(12)10-14-13(16)7-8-19-14/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyKTEOUNOQUNGXCI-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64848467
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
1-[(4-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64839101
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837940
1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
CID 64839742

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine (CID 64850024) is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(CC)CN1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The InChIKey is KTEOUNOQUNGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-4-6-12-9-17-15(3,5-2)11-18(12)10-14-13(16)7-8-19-14/h7-8,12,17H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine has a molecular weight of 345.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64850024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).