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

C13H21BrN2S — CID 64846473

IUPAC1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C13H21BrN2S/c1-3-4-11-7-15-10(2)8-16(11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyYHFWXMZXHCGIGM-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.47
Rot. Bonds4

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

1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine (PubChem CID 64846473) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
PubChem CID64846473
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C13H21BrN2S/c1-3-4-11-7-15-10(2)8-16(11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyYHFWXMZXHCGIGM-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
CID 64844892
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
1-[(5-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 103050719
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 114860324
1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130993389
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
CID 64846151
6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845142
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine (CID 64846473) is 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine is CCCC1CNC(C)CN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine?
The InChIKey is YHFWXMZXHCGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-3-4-11-7-15-10(2)8-16(11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine has a molecular weight of 317.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64846473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).