2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

C12H19ClN4O — CID 168973440

IUPAC2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(N[C@@H]2CCCN(CCO)C2)nnc1Cl
InChIInChI=1S/C12H19ClN4O/c1-9-7-11(15-16-12(9)13)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXUWRYHUTPGTOAH-SNVBAGLBSA-N
MW270.76 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 168973440) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID168973440
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(N[C@@H]2CCCN(CCO)C2)nnc1Cl
InChIInChI=1S/C12H19ClN4O/c1-9-7-11(15-16-12(9)13)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXUWRYHUTPGTOAH-SNVBAGLBSA-N
XLogP1.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (CID 168973440) is 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is Cc1cc(N[C@@H]2CCCN(CCO)C2)nnc1Cl.
What is the InChIKey of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is XUWRYHUTPGTOAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9-7-11(15-16-12(9)13)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 168973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).