3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine

C13H20FN3 — CID 67965084

IUPAC3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC[C@@H](C(C)C)[C@@H](F)C2)nn1
InChIInChI=1S/C13H20FN3/c1-9(2)11-6-7-17(8-12(11)14)13-5-4-10(3)15-16-13/h4-5,9,11-12H,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyFRSMHOBXVCYPLW-RYUDHWBXSA-N
MW237.32 g/mol
LogP2.61
Rot. Bonds2

About 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine

3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine (PubChem CID 67965084) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine
PubChem CID67965084
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC[C@@H](C(C)C)[C@@H](F)C2)nn1
InChIInChI=1S/C13H20FN3/c1-9(2)11-6-7-17(8-12(11)14)13-5-4-10(3)15-16-13/h4-5,9,11-12H,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyFRSMHOBXVCYPLW-RYUDHWBXSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine (CID 67965084) is 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CC[C@@H](C(C)C)[C@@H](F)C2)nn1.
What is the InChIKey of 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine?
The InChIKey is FRSMHOBXVCYPLW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9(2)11-6-7-17(8-12(11)14)13-5-4-10(3)15-16-13/h4-5,9,11-12H,6-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine?
3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine has a molecular weight of 237.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 67965084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).