(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol

C11H17N3O2 — CID 72863299

IUPAC(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol
SMILESCc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)nn1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(13-12-8)14-6-5-11(2,16)9(15)7-14/h3-4,9,15-16H,5-7H2,1-2H3/t9-,11-/m0/s1
InChIKeyUMYWHQHUEYSRAG-ONGXEEELSA-N
MW223.28 g/mol
LogP0.11
Rot. Bonds1

About (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol

(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol (PubChem CID 72863299) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol
PubChem CID72863299
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol
SMILESCc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)nn1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(13-12-8)14-6-5-11(2,16)9(15)7-14/h3-4,9,15-16H,5-7H2,1-2H3/t9-,11-/m0/s1
InChIKeyUMYWHQHUEYSRAG-ONGXEEELSA-N
XLogP0.11
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol (CID 72863299) is (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol is Cc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)nn1.
What is the InChIKey of (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol?
The InChIKey is UMYWHQHUEYSRAG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-10(13-12-8)14-6-5-11(2,16)9(15)7-14/h3-4,9,15-16H,5-7H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol?
(3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol has a molecular weight of 223.28 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol is sourced from PubChem (CID 72863299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).