4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol

C23H28N2O2S2 — CID 110181822

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCOc1ccccc1N1CCN(CCCC(O)(c2ccsc2)c2ccsc2)CC1
InChIInChI=1S/C23H28N2O2S2/c1-27-22-6-3-2-5-21(22)25-13-11-24(12-14-25)10-4-9-23(26,19-7-15-28-17-19)20-8-16-29-18-20/h2-3,5-8,15-18,26H,4,9-14H2,1H3
InChIKeyZETXEBWVMVKAOF-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.66
Rot. Bonds8

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol (PubChem CID 110181822) has the molecular formula C23H28N2O2S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol
PubChem CID110181822
Molecular FormulaC23H28N2O2S2
Molecular Weight428.62 g/mol
Exact Mass428.16
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCOc1ccccc1N1CCN(CCCC(O)(c2ccsc2)c2ccsc2)CC1
InChIInChI=1S/C23H28N2O2S2/c1-27-22-6-3-2-5-21(22)25-13-11-24(12-14-25)10-4-9-23(26,19-7-15-28-17-19)20-8-16-29-18-20/h2-3,5-8,15-18,26H,4,9-14H2,1H3
InChIKeyZETXEBWVMVKAOF-UHFFFAOYSA-N
XLogP4.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol with MolForge

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2,2,2-trifluoro-1-[11-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,8-bis(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone
CID 25140451
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol (CID 110181822) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol is COc1ccccc1N1CCN(CCCC(O)(c2ccsc2)c2ccsc2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol?
The InChIKey is ZETXEBWVMVKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S2/c1-27-22-6-3-2-5-21(22)25-13-11-24(12-14-25)10-4-9-23(26,19-7-15-28-17-19)20-8-16-29-18-20/h2-3,5-8,15-18,26H,4,9-14H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol has a molecular weight of 428.62 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol is sourced from PubChem (CID 110181822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).