4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol

C29H33NO2 — CID 166628462

IUPAC4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-2-28(23-10-5-3-6-11-23)29(24-14-16-26(31)17-15-24)25-12-9-13-27(22-25)32-21-20-30-18-7-4-8-19-30/h3,5-6,9-17,22,31H,2,4,7-8,18-21H2,1H3/b29-28-
InChIKeyHQHSOROBGHILJA-ZIADKAODSA-N
MW427.59 g/mol
LogP6.63
Rot. Bonds8

About 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol

4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol (PubChem CID 166628462) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
PubChem CID166628462
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-2-28(23-10-5-3-6-11-23)29(24-14-16-26(31)17-15-24)25-12-9-13-27(22-25)32-21-20-30-18-7-4-8-19-30/h3,5-6,9-17,22,31H,2,4,7-8,18-21H2,1H3/b29-28-
InChIKeyHQHSOROBGHILJA-ZIADKAODSA-N
XLogP6.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
2-(4-hydroxyphenyl)-3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-2-en-1-one
CID 67236853
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
1-[2-[3-[2-ethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine
CID 132508115
4-[(Z)-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol;hydrochloride
CID 146566701
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
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
1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 175489900
benzyl 2-[3-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetate
CID 10576104

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol (CID 166628462) is 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol is CC/C(=C(\c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol?
The InChIKey is HQHSOROBGHILJA-ZIADKAODSA-N. The full InChI is InChI=1S/C29H33NO2/c1-2-28(23-10-5-3-6-11-23)29(24-14-16-26(31)17-15-24)25-12-9-13-27(22-25)32-21-20-30-18-7-4-8-19-30/h3,5-6,9-17,22,31H,2,4,7-8,18-21H2,1H3/b29-28-.
What are the key properties of 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol?
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol has a molecular weight of 427.59 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol is sourced from PubChem (CID 166628462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).