1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine

C11H18N2OS — CID 115879777

IUPAC1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
SMILESCOc1ccsc1CN1CCNC(C)C1
InChIInChI=1S/C11H18N2OS/c1-9-7-13(5-4-12-9)8-11-10(14-2)3-6-15-11/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyFQBREQIRHVWVCP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.55
Rot. Bonds3

About 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine

1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine (PubChem CID 115879777) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
PubChem CID115879777
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
SMILESCOc1ccsc1CN1CCNC(C)C1
InChIInChI=1S/C11H18N2OS/c1-9-7-13(5-4-12-9)8-11-10(14-2)3-6-15-11/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyFQBREQIRHVWVCP-UHFFFAOYSA-N
XLogP1.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine (CID 115879777) is 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine is COc1ccsc1CN1CCNC(C)C1.
What is the InChIKey of 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine?
The InChIKey is FQBREQIRHVWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-7-13(5-4-12-9)8-11-10(14-2)3-6-15-11/h3,6,9,12H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine?
1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine has a molecular weight of 226.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 115879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).