[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol

C11H16ClN3O — CID 97169575

IUPAC[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)7-15-6-2-1-3-10(15)8-16/h4-5,10,16H,1-3,6-8H2/t10-/m1/s1
InChIKeyYJTYIYPKKGZZEA-SNVBAGLBSA-N
MW241.72 g/mol
LogP1.48
Rot. Bonds3

About [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol (PubChem CID 97169575) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
PubChem CID97169575
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)7-15-6-2-1-3-10(15)8-16/h4-5,10,16H,1-3,6-8H2/t10-/m1/s1
InChIKeyYJTYIYPKKGZZEA-SNVBAGLBSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496
tert-butyl N-[[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174292
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol (CID 97169575) is [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is YJTYIYPKKGZZEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)7-15-6-2-1-3-10(15)8-16/h4-5,10,16H,1-3,6-8H2/t10-/m1/s1.
What are the key properties of [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 97169575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).