3-methyl-4-piperidin-1-ylpentanoic acid

C11H21NO2 — CID 82397674

IUPAC3-methyl-4-piperidin-1-ylpentanoic acid
SMILESCC(CC(=O)O)C(C)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(8-11(13)14)10(2)12-6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySETOBTCCANMFOZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-4-piperidin-1-ylpentanoic acid

3-methyl-4-piperidin-1-ylpentanoic acid (PubChem CID 82397674) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-4-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-4-piperidin-1-ylpentanoic acid
PubChem CID82397674
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-4-piperidin-1-ylpentanoic acid
SMILESCC(CC(=O)O)C(C)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(8-11(13)14)10(2)12-6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySETOBTCCANMFOZ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperidin-1-ylpentanoic acid?
The IUPAC name of 3-methyl-4-piperidin-1-ylpentanoic acid (CID 82397674) is 3-methyl-4-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 3-methyl-4-piperidin-1-ylpentanoic acid?
The canonical SMILES for 3-methyl-4-piperidin-1-ylpentanoic acid is CC(CC(=O)O)C(C)N1CCCCC1.
What is the InChIKey of 3-methyl-4-piperidin-1-ylpentanoic acid?
The InChIKey is SETOBTCCANMFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(8-11(13)14)10(2)12-6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-4-piperidin-1-ylpentanoic acid?
3-methyl-4-piperidin-1-ylpentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 82397674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).