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

C16H28N2O2S — CID 3387508

IUPAC1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H28N2O2S/c1-14(2)20-13-15(19)12-18-9-7-17(8-10-18)6-5-16-4-3-11-21-16/h3-4,11,14-15,19H,5-10,12-13H2,1-2H3
InChIKeyMELYVBFLAQNEKR-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.69
Rot. Bonds8

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

1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 3387508) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID3387508
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H28N2O2S/c1-14(2)20-13-15(19)12-18-9-7-17(8-10-18)6-5-16-4-3-11-21-16/h3-4,11,14-15,19H,5-10,12-13H2,1-2H3
InChIKeyMELYVBFLAQNEKR-UHFFFAOYSA-N
XLogP1.69
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
CID 3857079
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 94489097
1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 56723815
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol (CID 3387508) is 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol is CC(C)OCC(O)CN1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is MELYVBFLAQNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-14(2)20-13-15(19)12-18-9-7-17(8-10-18)6-5-16-4-3-11-21-16/h3-4,11,14-15,19H,5-10,12-13H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 312.48 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3387508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).