(1,3-dimethylpiperidin-4-yl) acetate

C9H17NO2 — CID 20696711

IUPAC(1,3-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C)CC1C
InChIInChI=1S/C9H17NO2/c1-7-6-10(3)5-4-9(7)12-8(2)11/h7,9H,4-6H2,1-3H3
InChIKeyVCXHPVXKTYFIBL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About (1,3-dimethylpiperidin-4-yl) acetate

(1,3-dimethylpiperidin-4-yl) acetate (PubChem CID 20696711) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1,3-dimethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1,3-dimethylpiperidin-4-yl) acetate
PubChem CID20696711
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1,3-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C)CC1C
InChIInChI=1S/C9H17NO2/c1-7-6-10(3)5-4-9(7)12-8(2)11/h7,9H,4-6H2,1-3H3
InChIKeyVCXHPVXKTYFIBL-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpiperidin-4-yl) acetate?
The IUPAC name of (1,3-dimethylpiperidin-4-yl) acetate (CID 20696711) is (1,3-dimethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1,3-dimethylpiperidin-4-yl) acetate?
The canonical SMILES for (1,3-dimethylpiperidin-4-yl) acetate is CC(=O)OC1CCN(C)CC1C.
What is the InChIKey of (1,3-dimethylpiperidin-4-yl) acetate?
The InChIKey is VCXHPVXKTYFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-6-10(3)5-4-9(7)12-8(2)11/h7,9H,4-6H2,1-3H3.
What are the key properties of (1,3-dimethylpiperidin-4-yl) acetate?
(1,3-dimethylpiperidin-4-yl) acetate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpiperidin-4-yl) acetate is sourced from PubChem (CID 20696711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).