N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine

C20H27N3O2S — CID 85055232

IUPACN-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine
SMILESCON=C(CCCN1CCN(c2ccccc2OC)CC1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-24-19-9-4-3-8-18(19)23-14-12-22(13-15-23)11-5-7-17(21-25-2)20-10-6-16-26-20/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3
InChIKeyPWXWEGRJXBSXJY-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.71
Rot. Bonds8

About N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine

N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine (PubChem CID 85055232) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine.

Molecular Properties

Compound NameN-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine
PubChem CID85055232
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine
SMILESCON=C(CCCN1CCN(c2ccccc2OC)CC1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-24-19-9-4-3-8-18(19)23-14-12-22(13-15-23)11-5-7-17(21-25-2)20-10-6-16-26-20/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3
InChIKeyPWXWEGRJXBSXJY-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine
CID 70581507
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine?
The IUPAC name of N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine (CID 85055232) is N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine.
What is the SMILES notation for N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine?
The canonical SMILES for N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine is CON=C(CCCN1CCN(c2ccccc2OC)CC1)c1cccs1.
What is the InChIKey of N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine?
The InChIKey is PWXWEGRJXBSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-24-19-9-4-3-8-18(19)23-14-12-22(13-15-23)11-5-7-17(21-25-2)20-10-6-16-26-20/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3.
What are the key properties of N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine?
N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine has a molecular weight of 373.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine is sourced from PubChem (CID 85055232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).