(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol

C13H26N2O4 — CID 46199752

IUPAC(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCCCC1
InChIInChI=1S/C13H26N2O4/c16-8-10-12(18)13(19)11(9-17)15(10)7-6-14-4-2-1-3-5-14/h10-13,16-19H,1-9H2/t10-,11-,12-,13-/m1/s1
InChIKeyLJILSQFWTIDBQR-FDYHWXHSSA-N
MW274.36 g/mol
LogP-1.77
Rot. Bonds5

About (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol (PubChem CID 46199752) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol
PubChem CID46199752
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCCCC1
InChIInChI=1S/C13H26N2O4/c16-8-10-12(18)13(19)11(9-17)15(10)7-6-14-4-2-1-3-5-14/h10-13,16-19H,1-9H2/t10-,11-,12-,13-/m1/s1
InChIKeyLJILSQFWTIDBQR-FDYHWXHSSA-N
XLogP-1.77
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol with MolForge

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Related Compounds

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CID 11062806
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1-[2-(azetidin-1-yl)ethyl]azetidine
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methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
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CID 126978408

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol (CID 46199752) is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCCCC1.
What is the InChIKey of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol?
The InChIKey is LJILSQFWTIDBQR-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H26N2O4/c16-8-10-12(18)13(19)11(9-17)15(10)7-6-14-4-2-1-3-5-14/h10-13,16-19H,1-9H2/t10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol has a molecular weight of 274.36 g/mol, XLogP of -1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 46199752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).