2-(4-but-2-enylpiperazin-1-yl)phenol

C14H20N2O — CID 71900763

IUPAC2-(4-but-2-enylpiperazin-1-yl)phenol
SMILESCC=CCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H20N2O/c1-2-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17/h2-7,17H,8-12H2,1H3
InChIKeyFIADRQFSSILTKR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-but-2-enylpiperazin-1-yl)phenol

2-(4-but-2-enylpiperazin-1-yl)phenol (PubChem CID 71900763) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-but-2-enylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-(4-but-2-enylpiperazin-1-yl)phenol
PubChem CID71900763
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-but-2-enylpiperazin-1-yl)phenol
SMILESCC=CCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H20N2O/c1-2-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17/h2-7,17H,8-12H2,1H3
InChIKeyFIADRQFSSILTKR-UHFFFAOYSA-N
XLogP2.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-but-2-enyl]aziridine
CID 5362970
2-[(E)-but-2-enyl]-1,3-dihydroisoindole
CID 131234693
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 36846949
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol
CID 110904871
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
CID 154737420
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-enylpiperazin-1-yl)phenol?
The IUPAC name of 2-(4-but-2-enylpiperazin-1-yl)phenol (CID 71900763) is 2-(4-but-2-enylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-(4-but-2-enylpiperazin-1-yl)phenol?
The canonical SMILES for 2-(4-but-2-enylpiperazin-1-yl)phenol is CC=CCN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-(4-but-2-enylpiperazin-1-yl)phenol?
The InChIKey is FIADRQFSSILTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17/h2-7,17H,8-12H2,1H3.
What are the key properties of 2-(4-but-2-enylpiperazin-1-yl)phenol?
2-(4-but-2-enylpiperazin-1-yl)phenol has a molecular weight of 232.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-enylpiperazin-1-yl)phenol is sourced from PubChem (CID 71900763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).