1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine

C21H25FN2 — CID 21184137

IUPAC1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
SMILESFC1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H25FN2/c22-19-11-13-23(14-12-19)20-15-24(16-20)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChIKeyQCMHFEJIXICNEO-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.89
Rot. Bonds4

About 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine

1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine (PubChem CID 21184137) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
PubChem CID21184137
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
SMILESFC1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H25FN2/c22-19-11-13-23(14-12-19)20-15-24(16-20)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChIKeyQCMHFEJIXICNEO-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine?
The IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine (CID 21184137) is 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine.
What is the SMILES notation for 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine?
The canonical SMILES for 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine is FC1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine?
The InChIKey is QCMHFEJIXICNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c22-19-11-13-23(14-12-19)20-15-24(16-20)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21H,11-16H2.
What are the key properties of 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine?
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine has a molecular weight of 324.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine is sourced from PubChem (CID 21184137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).