4-methyl-6-piperidin-1-ylhexanoic acid

C12H23NO2 — CID 79695623

IUPAC4-methyl-6-piperidin-1-ylhexanoic acid
SMILESCC(CCC(=O)O)CCN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(5-6-12(14)15)7-10-13-8-3-2-4-9-13/h11H,2-10H2,1H3,(H,14,15)
InChIKeyQRJYIBCNCJNGHE-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 4-methyl-6-piperidin-1-ylhexanoic acid

4-methyl-6-piperidin-1-ylhexanoic acid (PubChem CID 79695623) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-6-piperidin-1-ylhexanoic acid.

Molecular Properties

Compound Name4-methyl-6-piperidin-1-ylhexanoic acid
PubChem CID79695623
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-6-piperidin-1-ylhexanoic acid
SMILESCC(CCC(=O)O)CCN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(5-6-12(14)15)7-10-13-8-3-2-4-9-13/h11H,2-10H2,1H3,(H,14,15)
InChIKeyQRJYIBCNCJNGHE-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-1-ylhexanoic acid?
The IUPAC name of 4-methyl-6-piperidin-1-ylhexanoic acid (CID 79695623) is 4-methyl-6-piperidin-1-ylhexanoic acid.
What is the SMILES notation for 4-methyl-6-piperidin-1-ylhexanoic acid?
The canonical SMILES for 4-methyl-6-piperidin-1-ylhexanoic acid is CC(CCC(=O)O)CCN1CCCCC1.
What is the InChIKey of 4-methyl-6-piperidin-1-ylhexanoic acid?
The InChIKey is QRJYIBCNCJNGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(5-6-12(14)15)7-10-13-8-3-2-4-9-13/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 4-methyl-6-piperidin-1-ylhexanoic acid?
4-methyl-6-piperidin-1-ylhexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-1-ylhexanoic acid is sourced from PubChem (CID 79695623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).