(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H28N2O2S+2 — CID 2126721

IUPAC(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCC[NH+]1CC[NH+](C[C@@H](O)COCc2cccs2)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-5-16-6-8-17(9-7-16)11-14(18)12-19-13-15-4-3-10-20-15/h3-4,10,14,18H,2,5-9,11-13H2,1H3/p+2/t14-/m1/s1
InChIKeyOJEPTLNLMYXFLB-CQSZACIVSA-P
MW300.47 g/mol
LogP-1.18
Rot. Bonds8

About (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2126721) has the molecular formula C15H28N2O2S+2 and a molecular weight of 300.47 g/mol. Its IUPAC name is (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2126721
Molecular FormulaC15H28N2O2S+2
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCC[NH+]1CC[NH+](C[C@@H](O)COCc2cccs2)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-5-16-6-8-17(9-7-16)11-14(18)12-19-13-15-4-3-10-20-15/h3-4,10,14,18H,2,5-9,11-13H2,1H3/p+2/t14-/m1/s1
InChIKeyOJEPTLNLMYXFLB-CQSZACIVSA-P
XLogP-1.18
TPSA38.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2126721) is (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is CCC[NH+]1CC[NH+](C[C@@H](O)COCc2cccs2)CC1.
What is the InChIKey of (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is OJEPTLNLMYXFLB-CQSZACIVSA-P. The full InChI is InChI=1S/C15H26N2O2S/c1-2-5-16-6-8-17(9-7-16)11-14(18)12-19-13-15-4-3-10-20-15/h3-4,10,14,18H,2,5-9,11-13H2,1H3/p+2/t14-/m1/s1.
What are the key properties of (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 300.47 g/mol, XLogP of -1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2126721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).