1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine

C12H23FN2 — CID 58364969

IUPAC1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
SMILESCC(C)(C)N1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C12H23FN2/c1-12(2,3)15-6-4-11(5-7-15)14-8-10(13)9-14/h10-11H,4-9H2,1-3H3
InChIKeyKTSGRVDODVEYTR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.90
Rot. Bonds1

About 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine

1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine (PubChem CID 58364969) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
PubChem CID58364969
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
SMILESCC(C)(C)N1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C12H23FN2/c1-12(2,3)15-6-4-11(5-7-15)14-8-10(13)9-14/h10-11H,4-9H2,1-3H3
InChIKeyKTSGRVDODVEYTR-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine (CID 58364969) is 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine is CC(C)(C)N1CCC(N2CC(F)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine?
The InChIKey is KTSGRVDODVEYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-12(2,3)15-6-4-11(5-7-15)14-8-10(13)9-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine?
1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine is sourced from PubChem (CID 58364969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).