4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol

C18H24N2O3S — CID 110877541

IUPAC4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)COCc3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2
InChIKeyBQQKQIGMOPLDOA-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.15
Rot. Bonds7

About 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol

4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol (PubChem CID 110877541) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
PubChem CID110877541
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)COCc3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2
InChIKeyBQQKQIGMOPLDOA-UHFFFAOYSA-N
XLogP2.15
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422
furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
CID 2359522
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30738692
(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95327138

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol (CID 110877541) is 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CC(O)COCc3cccs3)CC2)cc1.
What is the InChIKey of 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol?
The InChIKey is BQQKQIGMOPLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-16-5-3-15(4-6-16)20-9-7-19(8-10-20)12-17(22)13-23-14-18-2-1-11-24-18/h1-6,11,17,21-22H,7-10,12-14H2.
What are the key properties of 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol?
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol has a molecular weight of 348.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol is sourced from PubChem (CID 110877541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).