4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine

C11H21FN2 — CID 165137082

IUPAC4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine
SMILESCCN1CC(F)(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-2-14-8-11(12,9-14)7-10-3-5-13-6-4-10/h10,13H,2-9H2,1H3
InChIKeyDUXZRAQZCQNASC-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds3

About 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine

4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine (PubChem CID 165137082) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine
PubChem CID165137082
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine
SMILESCCN1CC(F)(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-2-14-8-11(12,9-14)7-10-3-5-13-6-4-10/h10,13H,2-9H2,1H3
InChIKeyDUXZRAQZCQNASC-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine?
The IUPAC name of 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine (CID 165137082) is 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine is CCN1CC(F)(CC2CCNCC2)C1.
What is the InChIKey of 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine?
The InChIKey is DUXZRAQZCQNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-2-14-8-11(12,9-14)7-10-3-5-13-6-4-10/h10,13H,2-9H2,1H3.
What are the key properties of 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine?
4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine has a molecular weight of 200.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine is sourced from PubChem (CID 165137082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).