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

C16H27BrN2S — CID 64849116

IUPAC1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C16H27BrN2S/c1-4-5-14-9-18-13(8-12(2)3)10-19(14)11-15-6-7-16(17)20-15/h6-7,12-14,18H,4-5,8-11H2,1-3H3
InChIKeyFNTCSEUDWDYCHY-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.50
Rot. Bonds6

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

1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine (PubChem CID 64849116) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
PubChem CID64849116
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C16H27BrN2S/c1-4-5-14-9-18-13(8-12(2)3)10-19(14)11-15-6-7-16(17)20-15/h6-7,12-14,18H,4-5,8-11H2,1-3H3
InChIKeyFNTCSEUDWDYCHY-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.50
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-methyl-2-propylpiperazine
CID 64846473
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112
1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 104812476
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine (CID 64849116) is 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine is CCCC1CNC(CC(C)C)CN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The InChIKey is FNTCSEUDWDYCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-4-5-14-9-18-13(8-12(2)3)10-19(14)11-15-6-7-16(17)20-15/h6-7,12-14,18H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine has a molecular weight of 359.38 g/mol, XLogP of 4.50, 6 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-(2-methylpropyl)-2-propylpiperazine is sourced from PubChem (CID 64849116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).