1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C14H17BrClN3S — CID 120910228

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESBrc1csc(CN2CCNCC2c2ccncc2)c1.Cl
InChIInChI=1S/C14H16BrN3S.ClH/c15-12-7-13(19-10-12)9-18-6-5-17-8-14(18)11-1-3-16-4-2-11;/h1-4,7,10,14,17H,5-6,8-9H2;1H
InChIKeySBWOYYVGLXQMAY-UHFFFAOYSA-N
MW374.74 g/mol
LogP3.47
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910228) has the molecular formula C14H17BrClN3S and a molecular weight of 374.74 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910228
Molecular FormulaC14H17BrClN3S
Molecular Weight374.74 g/mol
Exact Mass373.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESBrc1csc(CN2CCNCC2c2ccncc2)c1.Cl
InChIInChI=1S/C14H16BrN3S.ClH/c15-12-7-13(19-10-12)9-18-6-5-17-8-14(18)11-1-3-16-4-2-11;/h1-4,7,10,14,17H,5-6,8-9H2;1H
InChIKeySBWOYYVGLXQMAY-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120909954
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910164
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910473
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
1-[(5-nitrothiophen-3-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120910824

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910228) is 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Brc1csc(CN2CCNCC2c2ccncc2)c1.Cl.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is SBWOYYVGLXQMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S.ClH/c15-12-7-13(19-10-12)9-18-6-5-17-8-14(18)11-1-3-16-4-2-11;/h1-4,7,10,14,17H,5-6,8-9H2;1H.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 374.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).