1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

C35H37N3O — CID 2855218

IUPAC1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H37N3O/c1-27-17-18-33-32(23-27)34(29-13-7-3-8-14-29)35(30-15-9-4-10-16-30)38(33)26-31(39)25-37-21-19-36(20-22-37)24-28-11-5-2-6-12-28/h2-18,23,31,39H,19-22,24-26H2,1H3
InChIKeyQRXDXGBZUDUCJL-UHFFFAOYSA-N
MW515.70 g/mol
LogP6.46
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (PubChem CID 2855218) has the molecular formula C35H37N3O and a molecular weight of 515.70 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
PubChem CID2855218
Molecular FormulaC35H37N3O
Molecular Weight515.70 g/mol
Exact Mass515.29
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H37N3O/c1-27-17-18-33-32(23-27)34(29-13-7-3-8-14-29)35(30-15-9-4-10-16-30)38(33)26-31(39)25-37-21-19-36(20-22-37)24-28-11-5-2-6-12-28/h2-18,23,31,39H,19-22,24-26H2,1H3
InChIKeyQRXDXGBZUDUCJL-UHFFFAOYSA-N
XLogP6.46
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 56.46
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-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (CID 2855218) is 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The InChIKey is QRXDXGBZUDUCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O/c1-27-17-18-33-32(23-27)34(29-13-7-3-8-14-29)35(30-15-9-4-10-16-30)38(33)26-31(39)25-37-21-19-36(20-22-37)24-28-11-5-2-6-12-28/h2-18,23,31,39H,19-22,24-26H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol has a molecular weight of 515.70 g/mol, XLogP of 6.46, 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-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 2855218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).