1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol

C23H29NO2 — CID 54409840

IUPAC1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
SMILESOC1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c25-22-14-17-24(18-15-22)16-6-7-19-26-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-13,22,25H,6-7,14-19H2
InChIKeyVTIKOBIRGWGEGK-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.47
Rot. Bonds8

About 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol

1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol (PubChem CID 54409840) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
PubChem CID54409840
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
SMILESOC1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c25-22-14-17-24(18-15-22)16-6-7-19-26-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-13,22,25H,6-7,14-19H2
InChIKeyVTIKOBIRGWGEGK-UHFFFAOYSA-N
XLogP4.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
CID 3055463
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
2-[4-[4-[2-[2-(3-chlorophenyl)ethenyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 54312793
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperidin-4-ol
CID 3030742
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
methyl (2S)-1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butanoyl]pyrrolidine-2-carboxylate
CID 67862935
1-methyl-5-[[2-(2-phenylethenyl)phenoxy]methyl]pyrrolidin-3-ol;hydrochloride
CID 174421923
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol?
The IUPAC name of 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol (CID 54409840) is 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol is OC1CCN(CCCCOc2ccccc2C=Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol?
The InChIKey is VTIKOBIRGWGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-22-14-17-24(18-15-22)16-6-7-19-26-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-13,22,25H,6-7,14-19H2.
What are the key properties of 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol?
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol has a molecular weight of 351.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol is sourced from PubChem (CID 54409840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).