3-(1-methylpiperidin-4-yl)pentanoic acid

C11H21NO2 — CID 82607524

IUPAC3-(1-methylpiperidin-4-yl)pentanoic acid
SMILESCCC(CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-9(8-11(13)14)10-4-6-12(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLWZRZUSENOQLCX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 3-(1-methylpiperidin-4-yl)pentanoic acid

3-(1-methylpiperidin-4-yl)pentanoic acid (PubChem CID 82607524) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)pentanoic acid
PubChem CID82607524
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(1-methylpiperidin-4-yl)pentanoic acid
SMILESCCC(CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-9(8-11(13)14)10-4-6-12(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLWZRZUSENOQLCX-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)pentanoic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)pentanoic acid (CID 82607524) is 3-(1-methylpiperidin-4-yl)pentanoic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)pentanoic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)pentanoic acid is CCC(CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)pentanoic acid?
The InChIKey is LWZRZUSENOQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(8-11(13)14)10-4-6-12(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-methylpiperidin-4-yl)pentanoic acid?
3-(1-methylpiperidin-4-yl)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)pentanoic acid is sourced from PubChem (CID 82607524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).