4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol

C34H36N2O — CID 175489943

IUPAC4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol
SMILESCCC(=C(c1ccc(N2CCC(CN)CC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H36N2O/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(23-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)36-21-19-25(24-35)20-22-36/h3-18,23,25,37H,2,19-22,24,35H2,1H3
InChIKeyKFBIZGXLCTYAHQ-UHFFFAOYSA-N
MW488.68 g/mol
LogP7.60
Rot. Bonds7

About 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol

4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol (PubChem CID 175489943) has the molecular formula C34H36N2O and a molecular weight of 488.68 g/mol. Its IUPAC name is 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol
PubChem CID175489943
Molecular FormulaC34H36N2O
Molecular Weight488.68 g/mol
Exact Mass488.28
IUPAC Name4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol
SMILESCCC(=C(c1ccc(N2CCC(CN)CC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H36N2O/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(23-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)36-21-19-25(24-35)20-22-36/h3-18,23,25,37H,2,19-22,24,35H2,1H3
InChIKeyKFBIZGXLCTYAHQ-UHFFFAOYSA-N
XLogP7.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]phenol
CID 155125012
2-phenyl-4-[2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 175489900
cyclopropyl-(4-hydroxy-3-phenylphenyl)methanone
CID 81252230
N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
CID 155213483
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
3-[6-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione
CID 146566358
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
3-[5-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 154975617
(3S)-3-[6-[4-[2-[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146567083
3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol?
The IUPAC name of 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol (CID 175489943) is 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol.
What is the SMILES notation for 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol?
The canonical SMILES for 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol is CCC(=C(c1ccc(N2CCC(CN)CC2)cc1)c1ccc(O)c(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol?
The InChIKey is KFBIZGXLCTYAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O/c1-2-31(26-9-5-3-6-10-26)34(29-15-18-33(37)32(23-29)27-11-7-4-8-12-27)28-13-16-30(17-14-28)36-21-19-25(24-35)20-22-36/h3-18,23,25,37H,2,19-22,24,35H2,1H3.
What are the key properties of 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol?
4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol has a molecular weight of 488.68 g/mol, XLogP of 7.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-phenylbut-1-enyl]-2-phenylphenol is sourced from PubChem (CID 175489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).