1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine

C18H24N2O2S — CID 5211514

IUPAC1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCCOc1ccc(C(c2cccs2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H24N2O2S/c1-3-22-15-7-6-14(13-16(15)21-2)18(17-5-4-12-23-17)20-10-8-19-9-11-20/h4-7,12-13,18-19H,3,8-11H2,1-2H3
InChIKeyJCNDPFOXAMLMNK-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.15
Rot. Bonds6

About 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine

1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 5211514) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID5211514
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCCOc1ccc(C(c2cccs2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H24N2O2S/c1-3-22-15-7-6-14(13-16(15)21-2)18(17-5-4-12-23-17)20-10-8-19-9-11-20/h4-7,12-13,18-19H,3,8-11H2,1-2H3
InChIKeyJCNDPFOXAMLMNK-UHFFFAOYSA-N
XLogP3.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287197
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3804047

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine (CID 5211514) is 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine is CCOc1ccc(C(c2cccs2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is JCNDPFOXAMLMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-22-15-7-6-14(13-16(15)21-2)18(17-5-4-12-23-17)20-10-8-19-9-11-20/h4-7,12-13,18-19H,3,8-11H2,1-2H3.
What are the key properties of 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 332.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 5211514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).