[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol

C11H21NO3 — CID 117169312

IUPAC[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(CC2CCCNC2)OCC(CO)O1
InChIInChI=1S/C11H21NO3/c1-11(14-8-10(7-13)15-11)5-9-3-2-4-12-6-9/h9-10,12-13H,2-8H2,1H3
InChIKeyPUEDBENBWRYHBN-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.50
Rot. Bonds3

About [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol

[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 117169312) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID117169312
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(CC2CCCNC2)OCC(CO)O1
InChIInChI=1S/C11H21NO3/c1-11(14-8-10(7-13)15-11)5-9-3-2-4-12-6-9/h9-10,12-13H,2-8H2,1H3
InChIKeyPUEDBENBWRYHBN-UHFFFAOYSA-N
XLogP0.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 117169312) is [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol is CC1(CC2CCCNC2)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is PUEDBENBWRYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(14-8-10(7-13)15-11)5-9-3-2-4-12-6-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 215.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117169312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).