3-piperazin-1-ylphenol

C10H14N2O — CID 2736597

IUPAC3-piperazin-1-ylphenol
SMILESOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2
InChIKeyAYGYICRITMSJOC-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.80
Rot. Bonds1

About 3-piperazin-1-ylphenol

3-piperazin-1-ylphenol (PubChem CID 2736597) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-piperazin-1-ylphenol.

Molecular Properties

Compound Name3-piperazin-1-ylphenol
PubChem CID2736597
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-piperazin-1-ylphenol
SMILESOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2
InChIKeyAYGYICRITMSJOC-UHFFFAOYSA-N
XLogP0.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Edrophonium Chloride
CID 8307
3-Hydroxyacetanilide
CID 12124
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
3-Hydroxy-N-phenylaniline
CID 7546
3-(Dimethylamino)phenol
CID 7421
N-(3-methoxyphenyl)piperazine
CID 81430
3-Ethylamino-4-methylphenol
CID 8428
p-(1-Piperazinyl)phenol
CID 92467
o-(1-Piperazinyl)phenol
CID 70530
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylphenol?
The IUPAC name of 3-piperazin-1-ylphenol (CID 2736597) is 3-piperazin-1-ylphenol.
What is the SMILES notation for 3-piperazin-1-ylphenol?
The canonical SMILES for 3-piperazin-1-ylphenol is Oc1cccc(N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-ylphenol?
The InChIKey is AYGYICRITMSJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2.
What are the key properties of 3-piperazin-1-ylphenol?
3-piperazin-1-ylphenol has a molecular weight of 178.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylphenol is sourced from PubChem (CID 2736597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).