1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol

C34H35N3O — CID 4055631

IUPAC1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C34H35N3O/c38-30(25-36-22-20-35(21-23-36)24-27-12-4-1-5-13-27)26-37-32-19-11-10-18-31(32)33(28-14-6-2-7-15-28)34(37)29-16-8-3-9-17-29/h1-19,30,38H,20-26H2
InChIKeyFQNIZHZPCDPSFY-UHFFFAOYSA-N
MW501.67 g/mol
LogP6.15
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol

1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol (PubChem CID 4055631) has the molecular formula C34H35N3O and a molecular weight of 501.67 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol
PubChem CID4055631
Molecular FormulaC34H35N3O
Molecular Weight501.67 g/mol
Exact Mass501.28
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C34H35N3O/c38-30(25-36-22-20-35(21-23-36)24-27-12-4-1-5-13-27)26-37-32-19-11-10-18-31(32)33(28-14-6-2-7-15-28)34(37)29-16-8-3-9-17-29/h1-19,30,38H,20-26H2
InChIKeyFQNIZHZPCDPSFY-UHFFFAOYSA-N
XLogP6.15
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol (CID 4055631) is 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol is OC(CN1CCN(Cc2ccccc2)CC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol?
The InChIKey is FQNIZHZPCDPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O/c38-30(25-36-22-20-35(21-23-36)24-27-12-4-1-5-13-27)26-37-32-19-11-10-18-31(32)33(28-14-6-2-7-15-28)34(37)29-16-8-3-9-17-29/h1-19,30,38H,20-26H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol has a molecular weight of 501.67 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 4055631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).