2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol

C12H18ClN3O — CID 54099591

IUPAC2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
SMILESC[C@H]1CN(c2ccc(Cl)nn2)CC[C@H]1CCO
InChIInChI=1S/C12H18ClN3O/c1-9-8-16(6-4-10(9)5-7-17)12-3-2-11(13)14-15-12/h2-3,9-10,17H,4-8H2,1H3/t9-,10-/m0/s1
InChIKeyMZPUTLQTVCMAIS-UWVGGRQHSA-N
MW255.75 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol

2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol (PubChem CID 54099591) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
PubChem CID54099591
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
SMILESC[C@H]1CN(c2ccc(Cl)nn2)CC[C@H]1CCO
InChIInChI=1S/C12H18ClN3O/c1-9-8-16(6-4-10(9)5-7-17)12-3-2-11(13)14-15-12/h2-3,9-10,17H,4-8H2,1H3/t9-,10-/m0/s1
InChIKeyMZPUTLQTVCMAIS-UWVGGRQHSA-N
XLogP1.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
CID 131113638
2-[4-(6-chloropyridazin-3-yl)morpholin-2-yl]ethanol
CID 19983176
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
CID 129497823
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
CID 59303878
CID 59303878
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 167504088
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol (CID 54099591) is 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol is C[C@H]1CN(c2ccc(Cl)nn2)CC[C@H]1CCO.
What is the InChIKey of 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol?
The InChIKey is MZPUTLQTVCMAIS-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-8-16(6-4-10(9)5-7-17)12-3-2-11(13)14-15-12/h2-3,9-10,17H,4-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol?
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol has a molecular weight of 255.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol is sourced from PubChem (CID 54099591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).