(1-tritylpiperidin-4-yl)methanamine

C25H28N2 — CID 18668757

IUPAC(1-tritylpiperidin-4-yl)methanamine
SMILESNCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2/c26-20-21-16-18-27(19-17-21)25(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21H,16-20,26H2
InChIKeyMMKRXMJJCLXXNQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.65
Rot. Bonds5

About (1-tritylpiperidin-4-yl)methanamine

(1-tritylpiperidin-4-yl)methanamine (PubChem CID 18668757) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (1-tritylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-tritylpiperidin-4-yl)methanamine
PubChem CID18668757
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name(1-tritylpiperidin-4-yl)methanamine
SMILESNCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2/c26-20-21-16-18-27(19-17-21)25(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21H,16-20,26H2
InChIKeyMMKRXMJJCLXXNQ-UHFFFAOYSA-N
XLogP4.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-tritylpiperidin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-tritylpiperidin-4-yl)methanamine?
The IUPAC name of (1-tritylpiperidin-4-yl)methanamine (CID 18668757) is (1-tritylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-tritylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-tritylpiperidin-4-yl)methanamine is NCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-tritylpiperidin-4-yl)methanamine?
The InChIKey is MMKRXMJJCLXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c26-20-21-16-18-27(19-17-21)25(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21H,16-20,26H2.
What are the key properties of (1-tritylpiperidin-4-yl)methanamine?
(1-tritylpiperidin-4-yl)methanamine has a molecular weight of 356.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tritylpiperidin-4-yl)methanamine is sourced from PubChem (CID 18668757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).