4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol

C13H20N2O2 — CID 82263328

IUPAC4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2/c1-10(15-8-6-14-7-9-15)13(17)11-2-4-12(16)5-3-11/h2-5,10,13-14,16-17H,6-9H2,1H3
InChIKeyFFQNUWZHYXSTPW-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.72
Rot. Bonds3

About 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol

4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol (PubChem CID 82263328) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
PubChem CID82263328
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2/c1-10(15-8-6-14-7-9-15)13(17)11-2-4-12(16)5-3-11/h2-5,10,13-14,16-17H,6-9H2,1H3
InChIKeyFFQNUWZHYXSTPW-UHFFFAOYSA-N
XLogP0.72
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
4-(2-methyl-1-piperazin-1-ylpropyl)phenol
CID 83841714
4-[1-(1,4-diazepan-1-yl)ethyl]phenol
CID 61057495
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 70057699
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 142950188
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol?
The IUPAC name of 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol (CID 82263328) is 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol.
What is the SMILES notation for 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol?
The canonical SMILES for 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol is CC(C(O)c1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol?
The InChIKey is FFQNUWZHYXSTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(15-8-6-14-7-9-15)13(17)11-2-4-12(16)5-3-11/h2-5,10,13-14,16-17H,6-9H2,1H3.
What are the key properties of 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol?
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol has a molecular weight of 236.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol is sourced from PubChem (CID 82263328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).