[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol

C11H17ClN4O — CID 155284667

IUPAC[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol
SMILESCN1C[C@@H](Nc2ccc(Cl)nn2)CC[C@H]1CO
InChIInChI=1S/C11H17ClN4O/c1-16-6-8(2-3-9(16)7-17)13-11-5-4-10(12)14-15-11/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyQOMMSRUNJCMMJQ-IUCAKERBSA-N
MW256.74 g/mol
LogP1.00
Rot. Bonds3

About [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol

[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol (PubChem CID 155284667) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol
PubChem CID155284667
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol
SMILESCN1C[C@@H](Nc2ccc(Cl)nn2)CC[C@H]1CO
InChIInChI=1S/C11H17ClN4O/c1-16-6-8(2-3-9(16)7-17)13-11-5-4-10(12)14-15-11/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyQOMMSRUNJCMMJQ-IUCAKERBSA-N
XLogP1.00
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol (CID 155284667) is [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol is CN1C[C@@H](Nc2ccc(Cl)nn2)CC[C@H]1CO.
What is the InChIKey of [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol?
The InChIKey is QOMMSRUNJCMMJQ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16-6-8(2-3-9(16)7-17)13-11-5-4-10(12)14-15-11/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol?
[(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol has a molecular weight of 256.74 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-[(6-chloropyridazin-3-yl)amino]-1-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 155284667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).