2-(1-tritylpiperidin-4-yl)acetonitrile

C26H26N2 — CID 15480814

IUPAC2-(1-tritylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N2/c27-19-16-22-17-20-28(21-18-22)26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22H,16-18,20-21H2
InChIKeyQLQPZPWBOGFBSH-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.60
Rot. Bonds5

About 2-(1-tritylpiperidin-4-yl)acetonitrile

2-(1-tritylpiperidin-4-yl)acetonitrile (PubChem CID 15480814) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(1-tritylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-tritylpiperidin-4-yl)acetonitrile
PubChem CID15480814
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name2-(1-tritylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N2/c27-19-16-22-17-20-28(21-18-22)26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22H,16-18,20-21H2
InChIKeyQLQPZPWBOGFBSH-UHFFFAOYSA-N
XLogP5.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(1-tritylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1-tritylpiperidin-4-yl)acetonitrile (CID 15480814) is 2-(1-tritylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-tritylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-tritylpiperidin-4-yl)acetonitrile is N#CCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(1-tritylpiperidin-4-yl)acetonitrile?
The InChIKey is QLQPZPWBOGFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c27-19-16-22-17-20-28(21-18-22)26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22H,16-18,20-21H2.
What are the key properties of 2-(1-tritylpiperidin-4-yl)acetonitrile?
2-(1-tritylpiperidin-4-yl)acetonitrile has a molecular weight of 366.51 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 15480814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).