(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol

C11H22N2O2 — CID 54415391

IUPAC(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(C(O)[C@@H]2C[C@@H](O)CN2C)C1
InChIInChI=1S/C11H22N2O2/c1-12-4-3-8(6-12)11(15)10-5-9(14)7-13(10)2/h8-11,14-15H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1
InChIKeyVXBBPGBIUDIUKU-WIFZPCQCSA-N
MW214.31 g/mol
LogP-0.64
Rot. Bonds2

About (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol

(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 54415391) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID54415391
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(C(O)[C@@H]2C[C@@H](O)CN2C)C1
InChIInChI=1S/C11H22N2O2/c1-12-4-3-8(6-12)11(15)10-5-9(14)7-13(10)2/h8-11,14-15H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1
InChIKeyVXBBPGBIUDIUKU-WIFZPCQCSA-N
XLogP-0.64
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol (CID 54415391) is (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol is CN1CCC(C(O)[C@@H]2C[C@@H](O)CN2C)C1.
What is the InChIKey of (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is VXBBPGBIUDIUKU-WIFZPCQCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-4-3-8(6-12)11(15)10-5-9(14)7-13(10)2/h8-11,14-15H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1.
What are the key properties of (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol?
(3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[hydroxy-(1-methylpyrrolidin-3-yl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 54415391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).