1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine

C16H23BrN2S — CID 64860355

IUPAC1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1Cc1sccc1Br
InChIInChI=1S/C16H23BrN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)8-19(16)9-15-13(17)6-7-20-15/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyNLWPUNYEBALBHE-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.86
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine (PubChem CID 64860355) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
PubChem CID64860355
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1Cc1sccc1Br
InChIInChI=1S/C16H23BrN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)8-19(16)9-15-13(17)6-7-20-15/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyNLWPUNYEBALBHE-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878274
2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82872478
2,5-dicyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698037
2,5-dicyclopropyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862471
2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64859583
2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64862475
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
CID 106273284
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine (CID 64860355) is 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine is CC1(C2CC2)CNC(C2CC2)CN1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The InChIKey is NLWPUNYEBALBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)8-19(16)9-15-13(17)6-7-20-15/h6-7,11-12,14,18H,2-5,8-10H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine has a molecular weight of 355.35 g/mol, XLogP of 3.86, 4 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]-2,5-dicyclopropyl-2-methylpiperazine is sourced from PubChem (CID 64860355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).