5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol

C13H20N2O3 — CID 171189029

IUPAC5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
SMILESOCC[C@H](c1cc(O)cc(O)c1)N1CCNCC1
InChIInChI=1S/C13H20N2O3/c16-6-1-13(15-4-2-14-3-5-15)10-7-11(17)9-12(18)8-10/h7-9,13-14,16-18H,1-6H2/t13-/m1/s1
InChIKeyVUCBODVWYURRPB-CYBMUJFWSA-N
MW252.31 g/mol
LogP0.43
Rot. Bonds4

About 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol

5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol (PubChem CID 171189029) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
PubChem CID171189029
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
SMILESOCC[C@H](c1cc(O)cc(O)c1)N1CCNCC1
InChIInChI=1S/C13H20N2O3/c16-6-1-13(15-4-2-14-3-5-15)10-7-11(17)9-12(18)8-10/h7-9,13-14,16-18H,1-6H2/t13-/m1/s1
InChIKeyVUCBODVWYURRPB-CYBMUJFWSA-N
XLogP0.43
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171168463
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
2,6-ditert-butyl-4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171189370
2,6-ditert-butyl-4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171188960
5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199
(3R)-3-(3,5-dihydroxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306583
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol (CID 171189029) is 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol is OCC[C@H](c1cc(O)cc(O)c1)N1CCNCC1.
What is the InChIKey of 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol?
The InChIKey is VUCBODVWYURRPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-6-1-13(15-4-2-14-3-5-15)10-7-11(17)9-12(18)8-10/h7-9,13-14,16-18H,1-6H2/t13-/m1/s1.
What are the key properties of 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol?
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol has a molecular weight of 252.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol is sourced from PubChem (CID 171189029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).