(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol

C18H23N3O3 — CID 133117855

IUPAC(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
SMILESCOc1ccccc1-c1ncc(CN2CC[C@@](C)(O)[C@H](O)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(23)7-8-21(12-16(18)22)11-13-9-19-17(20-10-13)14-5-3-4-6-15(14)24-2/h3-6,9-10,16,22-23H,7-8,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyDKRYLYOIJPLSLU-SJLPKXTDSA-N
MW329.40 g/mol
LogP1.47
Rot. Bonds4

About (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol

(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol (PubChem CID 133117855) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
PubChem CID133117855
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
SMILESCOc1ccccc1-c1ncc(CN2CC[C@@](C)(O)[C@H](O)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(23)7-8-21(12-16(18)22)11-13-9-19-17(20-10-13)14-5-3-4-6-15(14)24-2/h3-6,9-10,16,22-23H,7-8,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyDKRYLYOIJPLSLU-SJLPKXTDSA-N
XLogP1.47
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol with MolForge

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Related Compounds

[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 77080984
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
3a-methoxy-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 156607692
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
(3R,4R)-1-[(2-butylsulfanylpyrimidin-5-yl)methyl]-4-methylpiperidine-3,4-diol
CID 133124769
1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
CID 69106342
(2S,5S)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-5-methylpyrrolidine-2-carboxylic acid
CID 138003268
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
CID 155503021
2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92589298
(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 133119318

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol (CID 133117855) is (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol is COc1ccccc1-c1ncc(CN2CC[C@@](C)(O)[C@H](O)C2)cn1.
What is the InChIKey of (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol?
The InChIKey is DKRYLYOIJPLSLU-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(23)7-8-21(12-16(18)22)11-13-9-19-17(20-10-13)14-5-3-4-6-15(14)24-2/h3-6,9-10,16,22-23H,7-8,11-12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol?
(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol has a molecular weight of 329.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 133117855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).