[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate

C11H21NO3 — CID 20696729

IUPAC[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate
SMILESCCC(O)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C11H21NO3/c1-4-10(14)9-7-12(3)6-5-11(9)15-8(2)13/h9-11,14H,4-7H2,1-3H3
InChIKeyVPKMIJTXYHMFNI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds3

About [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate

[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate (PubChem CID 20696729) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate
PubChem CID20696729
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate
SMILESCCC(O)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C11H21NO3/c1-4-10(14)9-7-12(3)6-5-11(9)15-8(2)13/h9-11,14H,4-7H2,1-3H3
InChIKeyVPKMIJTXYHMFNI-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate?
The IUPAC name of [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate (CID 20696729) is [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate.
What is the SMILES notation for [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate?
The canonical SMILES for [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate is CCC(O)C1CN(C)CCC1OC(C)=O.
What is the InChIKey of [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate?
The InChIKey is VPKMIJTXYHMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(14)9-7-12(3)6-5-11(9)15-8(2)13/h9-11,14H,4-7H2,1-3H3.
What are the key properties of [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate?
[3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxypropyl)-1-methylpiperidin-4-yl] acetate is sourced from PubChem (CID 20696729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).