1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine

C21H28FNO — CID 71271121

IUPAC1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine
SMILESFC1(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C21H28FNO/c22-21(10-14-24-15-11-21)19-6-4-17(5-7-19)16-18-8-12-23(13-9-18)20-2-1-3-20/h4-7,16,20H,1-3,8-15H2
InChIKeyOCXFGPMWPQPOPR-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.69
Rot. Bonds3

About 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine

1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine (PubChem CID 71271121) has the molecular formula C21H28FNO and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine
PubChem CID71271121
Molecular FormulaC21H28FNO
Molecular Weight329.46 g/mol
Exact Mass329.22
IUPAC Name1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine
SMILESFC1(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C21H28FNO/c22-21(10-14-24-15-11-21)19-6-4-17(5-7-19)16-18-8-12-23(13-9-18)20-2-1-3-20/h4-7,16,20H,1-3,8-15H2
InChIKeyOCXFGPMWPQPOPR-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine?
The IUPAC name of 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine (CID 71271121) is 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine.
What is the SMILES notation for 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine?
The canonical SMILES for 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine is FC1(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCOCC1.
What is the InChIKey of 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine?
The InChIKey is OCXFGPMWPQPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO/c22-21(10-14-24-15-11-21)19-6-4-17(5-7-19)16-18-8-12-23(13-9-18)20-2-1-3-20/h4-7,16,20H,1-3,8-15H2.
What are the key properties of 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine?
1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine has a molecular weight of 329.46 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[4-(4-fluorooxan-4-yl)phenyl]methylidene]piperidine is sourced from PubChem (CID 71271121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).