4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol

C13H20N2O2 — CID 171188975

IUPAC4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
SMILESOCC[C@H](c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2/c16-10-5-13(15-8-6-14-7-9-15)11-1-3-12(17)4-2-11/h1-4,13-14,16-17H,5-10H2/t13-/m1/s1
InChIKeyHETJWVROGLABSD-CYBMUJFWSA-N
MW236.31 g/mol
LogP0.72
Rot. Bonds4

About 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol

4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol (PubChem CID 171188975) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
PubChem CID171188975
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
SMILESOCC[C@H](c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2/c16-10-5-13(15-8-6-14-7-9-15)11-1-3-12(17)4-2-11/h1-4,13-14,16-17H,5-10H2/t13-/m1/s1
InChIKeyHETJWVROGLABSD-CYBMUJFWSA-N
XLogP0.72
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189029
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171188974
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
(3S)-3-(3,4-dibromophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189757
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189489

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol (CID 171188975) is 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol is OCC[C@H](c1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol?
The InChIKey is HETJWVROGLABSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-10-5-13(15-8-6-14-7-9-15)11-1-3-12(17)4-2-11/h1-4,13-14,16-17H,5-10H2/t13-/m1/s1.
What are the key properties of 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol?
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171188975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).