1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C14H21ClN4OS — CID 120912331

IUPAC1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCOc1ccsc1CN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-17-6-5-16-14(17)11-9-15-4-7-18(11)10-13-12(19-2)3-8-20-13;/h3,5-6,8,11,15H,4,7,9-10H2,1-2H3;1H
InChIKeyKMYMIDVQEHNQLE-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.06
Rot. Bonds4

About 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120912331) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120912331
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC Name1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCOc1ccsc1CN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-17-6-5-16-14(17)11-9-15-4-7-18(11)10-13-12(19-2)3-8-20-13;/h3,5-6,8,11,15H,4,7,9-10H2,1-2H3;1H
InChIKeyKMYMIDVQEHNQLE-UHFFFAOYSA-N
XLogP2.06
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912269
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120912331) is 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is COc1ccsc1CN1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is KMYMIDVQEHNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-17-6-5-16-14(17)11-9-15-4-7-18(11)10-13-12(19-2)3-8-20-13;/h3,5-6,8,11,15H,4,7,9-10H2,1-2H3;1H.
What are the key properties of 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120912331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).