4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride

C32H38Cl2N2O2 — CID 162673910

IUPAC4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride
SMILESCl.Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C32H36N2O2.2ClH/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;;/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;2*1H/b32-30-;;
InChIKeyOLXHGCUPIAJBMW-QQNRCNHKSA-N
MW553.57 g/mol
LogP7.41
Rot. Bonds9

About 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride

4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride (PubChem CID 162673910) has the molecular formula C32H38Cl2N2O2 and a molecular weight of 553.57 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride
PubChem CID162673910
Molecular FormulaC32H38Cl2N2O2
Molecular Weight553.57 g/mol
Exact Mass552.23
IUPAC Name4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride
SMILESCl.Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C32H36N2O2.2ClH/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;;/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;2*1H/b32-30-;;
InChIKeyOLXHGCUPIAJBMW-QQNRCNHKSA-N
XLogP7.41
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.57
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride?
The IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride (CID 162673910) is 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride.
What is the SMILES notation for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride?
The canonical SMILES for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride is Cl.Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride?
The InChIKey is OLXHGCUPIAJBMW-QQNRCNHKSA-N. The full InChI is InChI=1S/C32H36N2O2.2ClH/c35-23-7-10-30(25-8-3-1-4-9-25)32(26-11-14-29(36)15-12-26)28-13-16-31-27(24-28)17-20-34(31)22-21-33-18-5-2-6-19-33;;/h1,3-4,8-9,11-17,20,24,35-36H,2,5-7,10,18-19,21-23H2;2*1H/b32-30-;;.
What are the key properties of 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride?
4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride has a molecular weight of 553.57 g/mol, XLogP of 7.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-2-phenyl-1-[1-(2-piperidin-1-ylethyl)indol-5-yl]pent-1-enyl]phenol;dihydrochloride is sourced from PubChem (CID 162673910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).