3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol

C11H21NO4 — CID 170064734

IUPAC3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol
SMILESCC1C(O)OC(COC2CCCNC2)C1O
InChIInChI=1S/C11H21NO4/c1-7-10(13)9(16-11(7)14)6-15-8-3-2-4-12-5-8/h7-14H,2-6H2,1H3
InChIKeySJMRUWLRHANAOB-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.53
Rot. Bonds3

About 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol

3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol (PubChem CID 170064734) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol
PubChem CID170064734
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol
SMILESCC1C(O)OC(COC2CCCNC2)C1O
InChIInChI=1S/C11H21NO4/c1-7-10(13)9(16-11(7)14)6-15-8-3-2-4-12-5-8/h7-14H,2-6H2,1H3
InChIKeySJMRUWLRHANAOB-UHFFFAOYSA-N
XLogP-0.53
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(3S)-3-(2-methylprop-2-enoxy)piperidine
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1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
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methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
4-methyl-2-[[(3S)-piperidin-3-yl]oxymethyl]morpholine
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(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
3-(cyclopentyloxymethyl)piperidine
CID 24693389
(3S)-3-(2-bromoprop-2-enoxy)piperidine
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2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol?
The IUPAC name of 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol (CID 170064734) is 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol.
What is the SMILES notation for 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol?
The canonical SMILES for 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol is CC1C(O)OC(COC2CCCNC2)C1O.
What is the InChIKey of 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol?
The InChIKey is SJMRUWLRHANAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-10(13)9(16-11(7)14)6-15-8-3-2-4-12-5-8/h7-14H,2-6H2,1H3.
What are the key properties of 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol?
3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol has a molecular weight of 231.29 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 170064734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).