[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol

C35H36N2O — CID 21195952

IUPAC[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol
SMILESOCc1cc2ccccc2n1CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H36N2O/c38-27-33-26-29-12-10-11-19-34(29)37(33)25-22-28-20-23-36(24-21-28)35(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-19,26,28,38H,20-25,27H2
InChIKeySOKUOWTYTGIDFH-UHFFFAOYSA-N
MW500.69 g/mol
LogP7.23
Rot. Bonds8

About [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol

[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol (PubChem CID 21195952) has the molecular formula C35H36N2O and a molecular weight of 500.69 g/mol. Its IUPAC name is [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol
PubChem CID21195952
Molecular FormulaC35H36N2O
Molecular Weight500.69 g/mol
Exact Mass500.28
IUPAC Name[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol
SMILESOCc1cc2ccccc2n1CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H36N2O/c38-27-33-26-29-12-10-11-19-34(29)37(33)25-22-28-20-23-36(24-21-28)35(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-19,26,28,38H,20-25,27H2
InChIKeySOKUOWTYTGIDFH-UHFFFAOYSA-N
XLogP7.23
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol?
The IUPAC name of [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol (CID 21195952) is [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol.
What is the SMILES notation for [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol?
The canonical SMILES for [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol is OCc1cc2ccccc2n1CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol?
The InChIKey is SOKUOWTYTGIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O/c38-27-33-26-29-12-10-11-19-34(29)37(33)25-22-28-20-23-36(24-21-28)35(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-19,26,28,38H,20-25,27H2.
What are the key properties of [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol?
[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol has a molecular weight of 500.69 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol is sourced from PubChem (CID 21195952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).