3-benzhydryloxy-1-cyclohexylpyrrolidine

C23H29NO — CID 3025360

IUPAC3-benzhydryloxy-1-cyclohexylpyrrolidine
SMILESc1ccc(C(OC2CCN(C3CCCCC3)C2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20)25-22-16-17-24(18-22)21-14-8-3-9-15-21/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2
InChIKeyZQIZVEYSJWUOGI-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.20
Rot. Bonds5

About 3-benzhydryloxy-1-cyclohexylpyrrolidine

3-benzhydryloxy-1-cyclohexylpyrrolidine (PubChem CID 3025360) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-benzhydryloxy-1-cyclohexylpyrrolidine.

Molecular Properties

Compound Name3-benzhydryloxy-1-cyclohexylpyrrolidine
PubChem CID3025360
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-benzhydryloxy-1-cyclohexylpyrrolidine
SMILESc1ccc(C(OC2CCN(C3CCCCC3)C2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20)25-22-16-17-24(18-22)21-14-8-3-9-15-21/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2
InChIKeyZQIZVEYSJWUOGI-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-1-cyclohexylpyrrolidine?
The IUPAC name of 3-benzhydryloxy-1-cyclohexylpyrrolidine (CID 3025360) is 3-benzhydryloxy-1-cyclohexylpyrrolidine.
What is the SMILES notation for 3-benzhydryloxy-1-cyclohexylpyrrolidine?
The canonical SMILES for 3-benzhydryloxy-1-cyclohexylpyrrolidine is c1ccc(C(OC2CCN(C3CCCCC3)C2)c2ccccc2)cc1.
What is the InChIKey of 3-benzhydryloxy-1-cyclohexylpyrrolidine?
The InChIKey is ZQIZVEYSJWUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20)25-22-16-17-24(18-22)21-14-8-3-9-15-21/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2.
What are the key properties of 3-benzhydryloxy-1-cyclohexylpyrrolidine?
3-benzhydryloxy-1-cyclohexylpyrrolidine has a molecular weight of 335.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-1-cyclohexylpyrrolidine is sourced from PubChem (CID 3025360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).