[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol

C25H26N2O — CID 177181754

IUPAC[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@H]1N[C@H]2C[C@@H]1N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C25H26N2O/c28-18-23-24-16-22(26-23)17-27(24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26,28H,16-18H2/t22-,23+,24-/m0/s1
InChIKeyDCQPJFXKZXHGJC-VXNXHJTFSA-N
MW370.50 g/mol
LogP3.39
Rot. Bonds5

About [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 177181754) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID177181754
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@H]1N[C@H]2C[C@@H]1N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C25H26N2O/c28-18-23-24-16-22(26-23)17-27(24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26,28H,16-18H2/t22-,23+,24-/m0/s1
InChIKeyDCQPJFXKZXHGJC-VXNXHJTFSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol 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 [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol (CID 177181754) is [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol is OC[C@H]1N[C@H]2C[C@@H]1N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is DCQPJFXKZXHGJC-VXNXHJTFSA-N. The full InChI is InChI=1S/C25H26N2O/c28-18-23-24-16-22(26-23)17-27(24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26,28H,16-18H2/t22-,23+,24-/m0/s1.
What are the key properties of [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4S)-5-trityl-2,5-diazabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 177181754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).