1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine

C15H23BrN2S — CID 64861648

IUPAC1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C15H23BrN2S/c1-10(2)15-6-17-14(11-3-4-11)8-18(15)7-13-5-12(16)9-19-13/h5,9-11,14-15,17H,3-4,6-8H2,1-2H3
InChIKeyWRZQHYAFNARMAW-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.72
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine

1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 64861648) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID64861648
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C15H23BrN2S/c1-10(2)15-6-17-14(11-3-4-11)8-18(15)7-13-5-12(16)9-19-13/h5,9-11,14-15,17H,3-4,6-8H2,1-2H3
InChIKeyWRZQHYAFNARMAW-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64859726
5-cyclopropyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64861458
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64861649
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 64861306
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
5-[2-(5-cyclopropyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408806

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine (CID 64861648) is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is WRZQHYAFNARMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-10(2)15-6-17-14(11-3-4-11)8-18(15)7-13-5-12(16)9-19-13/h5,9-11,14-15,17H,3-4,6-8H2,1-2H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 343.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64861648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).