1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine

C12H19BrN2S — CID 115883147

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
SMILESCCCC1CN(Cc2csc(Br)c2)CCN1
InChIInChI=1S/C12H19BrN2S/c1-2-3-11-8-15(5-4-14-11)7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyLCHGOXIFDVPSDS-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds4

About 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine

1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine (PubChem CID 115883147) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
PubChem CID115883147
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
SMILESCCCC1CN(Cc2csc(Br)c2)CCN1
InChIInChI=1S/C12H19BrN2S/c1-2-3-11-8-15(5-4-14-11)7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyLCHGOXIFDVPSDS-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
CID 166432752
1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
CID 64832605
3-[[(3R)-3-propylpiperazin-1-yl]methyl]benzoic acid
CID 45072728
1-benzyl-3-butylpiperazine
CID 19353079
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799
3-[(5-bromothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927432
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
CID 64978692
1-[(4-tert-butylphenyl)methyl]-3-propyl-1,4-diazepane
CID 64872270
1-(2,2-dimethylpropyl)-3-propylpiperazine
CID 64925908

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine (CID 115883147) is 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine is CCCC1CN(Cc2csc(Br)c2)CCN1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine?
The InChIKey is LCHGOXIFDVPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-3-11-8-15(5-4-14-11)7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine?
1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine is sourced from PubChem (CID 115883147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).