1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine

C14H23BrN2S — CID 64837942

IUPAC1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-4-5-12-7-16-14(2,3)10-17(12)8-13-6-11(15)9-18-13/h6,9,12,16H,4-5,7-8,10H2,1-3H3
InChIKeyJVTYWCQFKSAZSC-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.86
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine

1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine (PubChem CID 64837942) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
PubChem CID64837942
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-4-5-12-7-16-14(2,3)10-17(12)8-13-6-11(15)9-18-13/h6,9,12,16H,4-5,7-8,10H2,1-3H3
InChIKeyJVTYWCQFKSAZSC-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
1-[(4-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64839101
1-[(4-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64848118
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64877308
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837940
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64841899
1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine
CID 64843823
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
CID 64837750
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64871271

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine (CID 64837942) is 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine is CCCC1CNC(C)(C)CN1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine?
The InChIKey is JVTYWCQFKSAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-4-5-12-7-16-14(2,3)10-17(12)8-13-6-11(15)9-18-13/h6,9,12,16H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine has a molecular weight of 331.32 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-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine is sourced from PubChem (CID 64837942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).