2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid

C11H21NO3 — CID 115029203

IUPAC2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
SMILESCC(C)OC1(CC(=O)O)CCN(C)CC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(8-10(13)14)4-6-12(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVMZWNKCQLHCONL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid

2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid (PubChem CID 115029203) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
PubChem CID115029203
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
SMILESCC(C)OC1(CC(=O)O)CCN(C)CC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(8-10(13)14)4-6-12(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVMZWNKCQLHCONL-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid (CID 115029203) is 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid is CC(C)OC1(CC(=O)O)CCN(C)CC1.
What is the InChIKey of 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid?
The InChIKey is VMZWNKCQLHCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)15-11(8-10(13)14)4-6-12(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid?
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid is sourced from PubChem (CID 115029203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).