3,4-dimethyl-1-tritylpiperidine

C26H29N — CID 118534551

IUPAC3,4-dimethyl-1-tritylpiperidine
SMILESCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C26H29N/c1-21-18-19-27(20-22(21)2)26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22H,18-20H2,1-2H3
InChIKeyGXFWVXJVRMFCGR-UHFFFAOYSA-N
MW355.53 g/mol
LogP5.96
Rot. Bonds4

About 3,4-dimethyl-1-tritylpiperidine

3,4-dimethyl-1-tritylpiperidine (PubChem CID 118534551) has the molecular formula C26H29N and a molecular weight of 355.53 g/mol. Its IUPAC name is 3,4-dimethyl-1-tritylpiperidine.

Molecular Properties

Compound Name3,4-dimethyl-1-tritylpiperidine
PubChem CID118534551
Molecular FormulaC26H29N
Molecular Weight355.53 g/mol
Exact Mass355.23
IUPAC Name3,4-dimethyl-1-tritylpiperidine
SMILESCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C26H29N/c1-21-18-19-27(20-22(21)2)26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22H,18-20H2,1-2H3
InChIKeyGXFWVXJVRMFCGR-UHFFFAOYSA-N
XLogP5.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,4-dimethyl-1-tritylpiperidine?
The IUPAC name of 3,4-dimethyl-1-tritylpiperidine (CID 118534551) is 3,4-dimethyl-1-tritylpiperidine.
What is the SMILES notation for 3,4-dimethyl-1-tritylpiperidine?
The canonical SMILES for 3,4-dimethyl-1-tritylpiperidine is CC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-tritylpiperidine?
The InChIKey is GXFWVXJVRMFCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N/c1-21-18-19-27(20-22(21)2)26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22H,18-20H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-tritylpiperidine?
3,4-dimethyl-1-tritylpiperidine has a molecular weight of 355.53 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-tritylpiperidine is sourced from PubChem (CID 118534551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).