2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol

C24H32N2O2 — CID 3055463

IUPAC2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c27-20-19-26-17-15-25(16-18-26)14-6-7-21-28-24-11-5-4-10-23(24)13-12-22-8-2-1-3-9-22/h1-5,8-13,27H,6-7,14-21H2
InChIKeyLGJMBQFUNZJGCW-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.63
Rot. Bonds10

About 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol

2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol (PubChem CID 3055463) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
PubChem CID3055463
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c27-20-19-26-17-15-25(16-18-26)14-6-7-21-28-24-11-5-4-10-23(24)13-12-22-8-2-1-3-9-22/h1-5,8-13,27H,6-7,14-21H2
InChIKeyLGJMBQFUNZJGCW-UHFFFAOYSA-N
XLogP3.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[2-[2-(3-chlorophenyl)ethenyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 54312793
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102804
methyl (2S)-1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butanoyl]pyrrolidine-2-carboxylate
CID 67862935
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108903982
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol (CID 3055463) is 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol is OCCN1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol?
The InChIKey is LGJMBQFUNZJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-20-19-26-17-15-25(16-18-26)14-6-7-21-28-24-11-5-4-10-23(24)13-12-22-8-2-1-3-9-22/h1-5,8-13,27H,6-7,14-21H2.
What are the key properties of 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol?
2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol has a molecular weight of 380.53 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3055463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).