(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol

C13H26N2O3 — CID 131929418

IUPAC(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
SMILESCC(C)(CN1CC[C@H](O)[C@@H](O)C1)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,15-5-7-18-8-6-15)10-14-4-3-11(16)12(17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJEZCIRMNMKBYPH-RYUDHWBXSA-N
MW258.36 g/mol
LogP-0.48
Rot. Bonds3

About (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol

(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol (PubChem CID 131929418) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
PubChem CID131929418
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
SMILESCC(C)(CN1CC[C@H](O)[C@@H](O)C1)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,15-5-7-18-8-6-15)10-14-4-3-11(16)12(17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJEZCIRMNMKBYPH-RYUDHWBXSA-N
XLogP-0.48
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56743814
4-[[(3R)-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95876961
4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95862544
3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 72915723
(3S,4S)-3-benzyl-4-hydroxy-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3-carboxylic acid
CID 135096885
4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 99999435
(3R,4S)-4-benzyl-3-hydroxy-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxylic acid;formic acid
CID 171321505
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111
4-[1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95415448
4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
CID 72841268
(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
(3R,4S)-1-(2,2-dimethylbutyl)-4-fluoropiperidin-3-ol
CID 138498136

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol (CID 131929418) is (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol is CC(C)(CN1CC[C@H](O)[C@@H](O)C1)N1CCOCC1.
What is the InChIKey of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol?
The InChIKey is JEZCIRMNMKBYPH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,15-5-7-18-8-6-15)10-14-4-3-11(16)12(17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol?
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol has a molecular weight of 258.36 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol is sourced from PubChem (CID 131929418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).