3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid

C24H26ClNO5 — CID 3025249

IUPAC3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C24H25NO.ClHO4/c1-4-10-20(11-5-1)18-25-17-16-23(19-25)26-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,23-24H,16-19H2;(H,2,3,4,5)
InChIKeyOWPWNDROJQEZTI-UHFFFAOYSA-N
MW443.93 g/mol
LogP0.94
Rot. Bonds6

About 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid

3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid (PubChem CID 3025249) has the molecular formula C24H26ClNO5 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid.

Molecular Properties

Compound Name3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid
PubChem CID3025249
Molecular FormulaC24H26ClNO5
Molecular Weight443.93 g/mol
Exact Mass443.15
IUPAC Name3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C24H25NO.ClHO4/c1-4-10-20(11-5-1)18-25-17-16-23(19-25)26-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,23-24H,16-19H2;(H,2,3,4,5)
InChIKeyOWPWNDROJQEZTI-UHFFFAOYSA-N
XLogP0.94
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid?
The IUPAC name of 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid (CID 3025249) is 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid.
What is the SMILES notation for 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid?
The canonical SMILES for 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid is [O-][Cl+3]([O-])([O-])O.c1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid?
The InChIKey is OWPWNDROJQEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO.ClHO4/c1-4-10-20(11-5-1)18-25-17-16-23(19-25)26-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,23-24H,16-19H2;(H,2,3,4,5).
What are the key properties of 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid?
3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid has a molecular weight of 443.93 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-1-benzylpyrrolidine;perchloric acid is sourced from PubChem (CID 3025249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).