(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol

C11H22N2O2 — CID 126846654

IUPAC(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol
SMILESCN1CCC(N(C)[C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O2/c1-12-5-3-9(4-6-12)13(2)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeySTCZKQWOQKUNCZ-GHMZBOCLSA-N
MW214.31 g/mol
LogP-0.23
Rot. Bonds2

About (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol

(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol (PubChem CID 126846654) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol
PubChem CID126846654
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol
SMILESCN1CCC(N(C)[C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O2/c1-12-5-3-9(4-6-12)13(2)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeySTCZKQWOQKUNCZ-GHMZBOCLSA-N
XLogP-0.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol (CID 126846654) is (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol is CN1CCC(N(C)[C@@H]2COC[C@H]2O)CC1.
What is the InChIKey of (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol?
The InChIKey is STCZKQWOQKUNCZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-5-3-9(4-6-12)13(2)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol?
(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol is sourced from PubChem (CID 126846654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).