1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol

C17H30N2O3S — CID 119036046

IUPAC1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCN(C(C)c2ccsc2)CC1
InChIInChI=1S/C17H30N2O3S/c1-14(11-21-3)22-12-17(20)10-18-5-7-19(8-6-18)15(2)16-4-9-23-13-16/h4,9,13-15,17,20H,5-8,10-12H2,1-3H3
InChIKeyFLERFOLVJFTHRX-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.84
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 119036046) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID119036046
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCN(C(C)c2ccsc2)CC1
InChIInChI=1S/C17H30N2O3S/c1-14(11-21-3)22-12-17(20)10-18-5-7-19(8-6-18)15(2)16-4-9-23-13-16/h4,9,13-15,17,20H,5-8,10-12H2,1-3H3
InChIKeyFLERFOLVJFTHRX-UHFFFAOYSA-N
XLogP1.84
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
CID 124625428
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 75508189

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol (CID 119036046) is 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol is COCC(C)OCC(O)CN1CCN(C(C)c2ccsc2)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is FLERFOLVJFTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-14(11-21-3)22-12-17(20)10-18-5-7-19(8-6-18)15(2)16-4-9-23-13-16/h4,9,13-15,17,20H,5-8,10-12H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 342.51 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 119036046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).