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

C17H27N3O3 — CID 165061723

IUPAC(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCc1cccnc1N1CC[C@@H](CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)C1
InChIInChI=1S/C17H27N3O3/c1-11-4-3-6-18-17(11)19-7-5-13(8-19)9-20-10-14(21)16(23)15(22)12(20)2/h3-4,6,12-16,21-23H,5,7-10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyRHWMVVUKLMJUOP-IBEHDNSVSA-N
MW321.42 g/mol
LogP0.00
Rot. Bonds3

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

(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 165061723) 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-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID165061723
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCc1cccnc1N1CC[C@@H](CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)C1
InChIInChI=1S/C17H27N3O3/c1-11-4-3-6-18-17(11)19-7-5-13(8-19)9-20-10-14(21)16(23)15(22)12(20)2/h3-4,6,12-16,21-23H,5,7-10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyRHWMVVUKLMJUOP-IBEHDNSVSA-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-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165109184
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
1-[[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039208
1-(3-methyl-2-pyridinyl)piperidin-3-amine
CID 62253167
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
CID 143449306
2-(3-chloropiperidin-1-yl)-3-methylpyridine
CID 63392389
(3R)-N-ethyl-1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 123715636
(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
CID 157039380
(2R,3R,4R,5S)-1-[[(3R)-1-(1,3-benzothiazol-4-yl)piperidin-3-yl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155302780
N-[[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55219574

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (CID 165061723) is (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-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-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is Cc1cccnc1N1CC[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-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is RHWMVVUKLMJUOP-IBEHDNSVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-4-3-6-18-17(11)19-7-5-13(8-19)9-20-10-14(21)16(23)15(22)12(20)2/h3-4,6,12-16,21-23H,5,7-10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-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-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 165061723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).