(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine

C13H24FNO2 — CID 135291743

IUPAC(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine
SMILESCCC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C13H24FNO2/c1-3-10(2)17-13-4-6-15(8-12(13)14)11-5-7-16-9-11/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1
InChIKeyLZVHXDMBEVUNIF-TUUUFIMRSA-N
MW245.34 g/mol
LogP2.00
Rot. Bonds4

About (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine

(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine (PubChem CID 135291743) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine
PubChem CID135291743
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine
SMILESCCC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C13H24FNO2/c1-3-10(2)17-13-4-6-15(8-12(13)14)11-5-7-16-9-11/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1
InChIKeyLZVHXDMBEVUNIF-TUUUFIMRSA-N
XLogP2.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The IUPAC name of (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine (CID 135291743) is (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine is CCC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine?
The InChIKey is LZVHXDMBEVUNIF-TUUUFIMRSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-3-10(2)17-13-4-6-15(8-12(13)14)11-5-7-16-9-11/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine?
(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine has a molecular weight of 245.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 135291743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).