[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol

C13H20N2O3 — CID 102935345

IUPAC[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(N2CC(C)OC(CO)C2)c(CO)cn1
InChIInChI=1S/C13H20N2O3/c1-9-3-13(11(7-16)4-14-9)15-5-10(2)18-12(6-15)8-17/h3-4,10,12,16-17H,5-8H2,1-2H3
InChIKeyMQIFPIPAUQYWIK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.47
Rot. Bonds3

About [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol

[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935345) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935345
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(N2CC(C)OC(CO)C2)c(CO)cn1
InChIInChI=1S/C13H20N2O3/c1-9-3-13(11(7-16)4-14-9)15-5-10(2)18-12(6-15)8-17/h3-4,10,12,16-17H,5-8H2,1-2H3
InChIKeyMQIFPIPAUQYWIK-UHFFFAOYSA-N
XLogP0.47
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanol
CID 81239032
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-3-pyridinyl]methyl]ethanamine
CID 104960865
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
CID 81238544
N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102933012
[4-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylmorpholin-2-yl]methanol
CID 107372998
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81248079
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795

Frequently Asked Questions

What is the IUPAC name of [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol (CID 102935345) is [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol is Cc1cc(N2CC(C)OC(CO)C2)c(CO)cn1.
What is the InChIKey of [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is MQIFPIPAUQYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-3-13(11(7-16)4-14-9)15-5-10(2)18-12(6-15)8-17/h3-4,10,12,16-17H,5-8H2,1-2H3.
What are the key properties of [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol?
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).