(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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Related Compounds

(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol
CID 126846706
6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186664
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419981
molecular hydrogen;trans-(1S,2S)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 142330056
N,N-dimethyl-4-(4-methylpiperazin-1-yl)oxolan-3-amine
CID 58695994
(3S)-4-[2,2-dimethylpropyl(methyl)amino]oxolan-3-ol
CID 126988278
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50964157
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol
CID 130757273
N-iodo-N,1-dimethylpiperidin-4-amine
CID 134413074
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882

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).