1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine

C14H16BrN3S — CID 120755708

IUPAC1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1ccsc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C14H16BrN3S/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11/h1-4,7-8,13,17H,5-6,9-10H2
InChIKeyBLLIMBMMVBFWFN-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.05
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120755708) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120755708
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1ccsc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C14H16BrN3S/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11/h1-4,7-8,13,17H,5-6,9-10H2
InChIKeyBLLIMBMMVBFWFN-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine (CID 120755708) is 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine is Brc1ccsc1CN1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is BLLIMBMMVBFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11/h1-4,7-8,13,17H,5-6,9-10H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 338.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120755708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).