2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid

C14H20N2O3 — CID 171189039

IUPAC2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid
SMILESO=C(O)c1ccccc1[C@@H](CCO)N1CCNCC1
InChIInChI=1S/C14H20N2O3/c17-10-5-13(16-8-6-15-7-9-16)11-3-1-2-4-12(11)14(18)19/h1-4,13,15,17H,5-10H2,(H,18,19)/t13-/m1/s1
InChIKeyUNQKCJLDVTXRNO-CYBMUJFWSA-N
MW264.32 g/mol
LogP0.71
Rot. Bonds5

About 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid

2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid (PubChem CID 171189039) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid.

Molecular Properties

Compound Name2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid
PubChem CID171189039
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid
SMILESO=C(O)c1ccccc1[C@@H](CCO)N1CCNCC1
InChIInChI=1S/C14H20N2O3/c17-10-5-13(16-8-6-15-7-9-16)11-3-1-2-4-12(11)14(18)19/h1-4,13,15,17H,5-10H2,(H,18,19)/t13-/m1/s1
InChIKeyUNQKCJLDVTXRNO-CYBMUJFWSA-N
XLogP0.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174180
3-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol
CID 171189463
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile
CID 171189088
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189089
2-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]benzoic acid;hydrochloride
CID 171189956
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173408
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
(3S)-3-piperazin-1-yl-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171174568
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189489
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid?
The IUPAC name of 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid (CID 171189039) is 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid.
What is the SMILES notation for 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid?
The canonical SMILES for 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid is O=C(O)c1ccccc1[C@@H](CCO)N1CCNCC1.
What is the InChIKey of 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid?
The InChIKey is UNQKCJLDVTXRNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-5-13(16-8-6-15-7-9-16)11-3-1-2-4-12(11)14(18)19/h1-4,13,15,17H,5-10H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid?
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzoic acid is sourced from PubChem (CID 171189039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).