(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine

C9H17FN2O — CID 170091059

IUPAC(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine
SMILESF[C@@H]1CNCC[C@@H]1OCC1CNC1
InChIInChI=1S/C9H17FN2O/c10-8-5-11-2-1-9(8)13-6-7-3-12-4-7/h7-9,11-12H,1-6H2/t8-,9+/m1/s1
InChIKeyGQEBHUBRXRNRHP-BDAKNGLRSA-N
MW188.25 g/mol
LogP-0.08
Rot. Bonds3

About (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine

(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine (PubChem CID 170091059) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine.

Molecular Properties

Compound Name(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine
PubChem CID170091059
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine
SMILESF[C@@H]1CNCC[C@@H]1OCC1CNC1
InChIInChI=1S/C9H17FN2O/c10-8-5-11-2-1-9(8)13-6-7-3-12-4-7/h7-9,11-12H,1-6H2/t8-,9+/m1/s1
InChIKeyGQEBHUBRXRNRHP-BDAKNGLRSA-N
XLogP-0.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine?
The IUPAC name of (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine (CID 170091059) is (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine.
What is the SMILES notation for (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine?
The canonical SMILES for (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine is F[C@@H]1CNCC[C@@H]1OCC1CNC1.
What is the InChIKey of (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine?
The InChIKey is GQEBHUBRXRNRHP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-8-5-11-2-1-9(8)13-6-7-3-12-4-7/h7-9,11-12H,1-6H2/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine?
(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine has a molecular weight of 188.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine is sourced from PubChem (CID 170091059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).