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

C8H15FN2 — CID 130985817

IUPAC(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
SMILESF[C@H]1CNCC[C@H]1C1CNC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-2-1-7(8)6-3-11-4-6/h6-8,10-11H,1-5H2/t7-,8-/m0/s1
InChIKeyRWROSFNASGNHPY-YUMQZZPRSA-N
MW158.22 g/mol
LogP0.15
Rot. Bonds1

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

(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine (PubChem CID 130985817) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
PubChem CID130985817
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
SMILESF[C@H]1CNCC[C@H]1C1CNC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-2-1-7(8)6-3-11-4-6/h6-8,10-11H,1-5H2/t7-,8-/m0/s1
InChIKeyRWROSFNASGNHPY-YUMQZZPRSA-N
XLogP0.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine?
The IUPAC name of (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine (CID 130985817) is (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine.
What is the SMILES notation for (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine?
The canonical SMILES for (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine is F[C@H]1CNCC[C@H]1C1CNC1.
What is the InChIKey of (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine?
The InChIKey is RWROSFNASGNHPY-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8-5-10-2-1-7(8)6-3-11-4-6/h6-8,10-11H,1-5H2/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine?
(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine has a molecular weight of 158.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine is sourced from PubChem (CID 130985817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).