2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol

C34H36N2O2 — CID 175489900

IUPAC2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
SMILESCCC(=C(c1ccc(OCCN2CCNCC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(25-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)38-24-23-36-21-19-35-20-22-36/h3-18,25,35,37H,2,19-24H2,1H3
InChIKeyWHGVUGLIMHQFIK-UHFFFAOYSA-N
MW504.67 g/mol
LogP6.71
Rot. Bonds9

About 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol

2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol (PubChem CID 175489900) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol.

Molecular Properties

Compound Name2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
PubChem CID175489900
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
SMILESCCC(=C(c1ccc(OCCN2CCNCC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(25-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)38-24-23-36-21-19-35-20-22-36/h3-18,25,35,37H,2,19-24H2,1H3
InChIKeyWHGVUGLIMHQFIK-UHFFFAOYSA-N
XLogP6.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol;hydrochloride
CID 146566701
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
4-[(Z)-4-chloro-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166948738
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
2-(4-hydroxyphenyl)-3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-2-en-1-one
CID 67236853
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
1-[9-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]nonyl]pyrrolidine
CID 10699116
4-[2-[4-[(E)-1-[4-(2,2-dimethylpropanoyloxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]piperazine-1-carboxylic acid
CID 146566746
4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol
CID 175489943
1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The IUPAC name of 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol (CID 175489900) is 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol.
What is the SMILES notation for 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The canonical SMILES for 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol is CCC(=C(c1ccc(OCCN2CCNCC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The InChIKey is WHGVUGLIMHQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(25-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)38-24-23-36-21-19-35-20-22-36/h3-18,25,35,37H,2,19-24H2,1H3.
What are the key properties of 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol?
2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol has a molecular weight of 504.67 g/mol, XLogP of 6.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol is sourced from PubChem (CID 175489900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).