(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol

C17H27N3O3 — CID 165109184

IUPAC(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCc1ccncc1N1CC[C@@H](CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)C1
InChIInChI=1S/C17H27N3O3/c1-11-3-5-18-7-14(11)19-6-4-13(8-19)9-20-10-15(21)17(23)16(22)12(20)2/h3,5,7,12-13,15-17,21-23H,4,6,8-10H2,1-2H3/t12-,13-,15+,16-,17-/m1/s1
InChIKeyZQWLNPZRFPYSPB-MAURAIGZSA-N
MW321.42 g/mol
LogP0.00
Rot. Bonds3

About (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 165109184) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID165109184
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCc1ccncc1N1CC[C@@H](CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)C1
InChIInChI=1S/C17H27N3O3/c1-11-3-5-18-7-14(11)19-6-4-13(8-19)9-20-10-15(21)17(23)16(22)12(20)2/h3,5,7,12-13,15-17,21-23H,4,6,8-10H2,1-2H3/t12-,13-,15+,16-,17-/m1/s1
InChIKeyZQWLNPZRFPYSPB-MAURAIGZSA-N
XLogP0.00
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286680
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165061723
2-methyl-N-[[1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63327737
(2R,3R,4R,5S)-1-[[(3R)-1-(1,3-benzothiazol-4-yl)piperidin-3-yl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155302780
(3S,5R)-1-[[(3S)-1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 166834402
3,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 66273910
1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157038983
(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104892823
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039844
1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155721040

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (CID 165109184) is (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is Cc1ccncc1N1CC[C@@H](CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)C1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is ZQWLNPZRFPYSPB-MAURAIGZSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-3-5-18-7-14(11)19-6-4-13(8-19)9-20-10-15(21)17(23)16(22)12(20)2/h3,5,7,12-13,15-17,21-23H,4,6,8-10H2,1-2H3/t12-,13-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 321.42 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 165109184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).