[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

C17H30N4O2 — CID 72939430

IUPAC[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@@H](CO)CN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-13-7-14(2)19-17(18-13)21-10-15(8-16(11-21)12-22)9-20(3)5-6-23-4/h7,15-16,22H,5-6,8-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyKUCCRWBHZNOCRI-HZPDHXFCSA-N
MW322.45 g/mol
LogP1.11
Rot. Bonds7

About [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (PubChem CID 72939430) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
PubChem CID72939430
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@@H](CO)CN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-13-7-14(2)19-17(18-13)21-10-15(8-16(11-21)12-22)9-20(3)5-6-23-4/h7,15-16,22H,5-6,8-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyKUCCRWBHZNOCRI-HZPDHXFCSA-N
XLogP1.11
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
CID 86283668
[(3R,5S)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 133118347
[(3S,5R)-5-[[2-methoxyethyl(methyl)amino]methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 72883892
[(3R,5S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
CID 133128977
(4-fluoro-2-methylphenyl)-[(3R,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 72881136
[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 72898802
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
(3-chloro-5-methoxyphenyl)-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 72920743
(5-chloro-2-fluorophenyl)-[3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 156606086
(4-chloro-2-hydroxyphenyl)-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 70762995
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
CID 70777752
(2-chloro-4-fluorophenyl)-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 72869701

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (CID 72939430) is [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is COCCN(C)C[C@H]1C[C@@H](CO)CN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The InChIKey is KUCCRWBHZNOCRI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-7-14(2)19-17(18-13)21-10-15(8-16(11-21)12-22)9-20(3)5-6-23-4/h7,15-16,22H,5-6,8-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
[(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol has a molecular weight of 322.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-(4,6-dimethylpyrimidin-2-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).