(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol

C11H17FN4O — CID 146990364

IUPAC(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol
SMILESCNCc1ccc(N2CC[C@H](O)[C@H](F)C2)nn1
InChIInChI=1S/C11H17FN4O/c1-13-6-8-2-3-11(15-14-8)16-5-4-10(17)9(12)7-16/h2-3,9-10,13,17H,4-7H2,1H3/t9-,10+/m1/s1
InChIKeyAQBRNUHMOYVKMC-ZJUUUORDSA-N
MW240.28 g/mol
LogP0.11
Rot. Bonds3

About (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol

(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 146990364) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol
PubChem CID146990364
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol
SMILESCNCc1ccc(N2CC[C@H](O)[C@H](F)C2)nn1
InChIInChI=1S/C11H17FN4O/c1-13-6-8-2-3-11(15-14-8)16-5-4-10(17)9(12)7-16/h2-3,9-10,13,17H,4-7H2,1H3/t9-,10+/m1/s1
InChIKeyAQBRNUHMOYVKMC-ZJUUUORDSA-N
XLogP0.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol (CID 146990364) is (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol is CNCc1ccc(N2CC[C@H](O)[C@H](F)C2)nn1.
What is the InChIKey of (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is AQBRNUHMOYVKMC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-6-8-2-3-11(15-14-8)16-5-4-10(17)9(12)7-16/h2-3,9-10,13,17H,4-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol?
(3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 240.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-[6-(methylaminomethyl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 146990364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).