4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid

C11H21NO4 — CID 103377739

IUPAC4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C11H21NO4/c1-8(13)9(2)16-11(10(14)15)4-6-12(3)7-5-11/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyAIGNDRZHJJYKAN-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.32
Rot. Bonds4

About 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid

4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid (PubChem CID 103377739) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid
PubChem CID103377739
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C11H21NO4/c1-8(13)9(2)16-11(10(14)15)4-6-12(3)7-5-11/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyAIGNDRZHJJYKAN-UHFFFAOYSA-N
XLogP0.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
3-(3-hydroxybutan-2-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 103377903
3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
CID 103377964
4-(3-hydroxybutan-2-yloxy)-2-methyloxane-4-carboxylic acid
CID 103377725
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
CID 115029203
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
4-methoxy-1-methylpiperidine-4-carboxamide
CID 89303192
3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid
CID 84668946
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
CID 83225181
1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65420100
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid (CID 103377739) is 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid is CC(O)C(C)OC1(C(=O)O)CCN(C)CC1.
What is the InChIKey of 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is AIGNDRZHJJYKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(13)9(2)16-11(10(14)15)4-6-12(3)7-5-11/h8-9,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid?
4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 103377739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).