3-benzhydryloxy-1-butylpyrrolidine

C21H27NO — CID 3025266

IUPAC3-benzhydryloxy-1-butylpyrrolidine
SMILESCCCCN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-2-3-15-22-16-14-20(17-22)23-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKeyQFGBDMAJXGJVDT-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.67
Rot. Bonds7

About 3-benzhydryloxy-1-butylpyrrolidine

3-benzhydryloxy-1-butylpyrrolidine (PubChem CID 3025266) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-benzhydryloxy-1-butylpyrrolidine.

Molecular Properties

Compound Name3-benzhydryloxy-1-butylpyrrolidine
PubChem CID3025266
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-benzhydryloxy-1-butylpyrrolidine
SMILESCCCCN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-2-3-15-22-16-14-20(17-22)23-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKeyQFGBDMAJXGJVDT-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-1-butylpyrrolidine?
The IUPAC name of 3-benzhydryloxy-1-butylpyrrolidine (CID 3025266) is 3-benzhydryloxy-1-butylpyrrolidine.
What is the SMILES notation for 3-benzhydryloxy-1-butylpyrrolidine?
The canonical SMILES for 3-benzhydryloxy-1-butylpyrrolidine is CCCCN1CCC(OC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-benzhydryloxy-1-butylpyrrolidine?
The InChIKey is QFGBDMAJXGJVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-3-15-22-16-14-20(17-22)23-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3.
What are the key properties of 3-benzhydryloxy-1-butylpyrrolidine?
3-benzhydryloxy-1-butylpyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-1-butylpyrrolidine is sourced from PubChem (CID 3025266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).