2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid

C13H24N2O2 — CID 58136087

IUPAC2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid
SMILESCN1CCC(N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-6-4-12(5-7-14)15-8-2-11(3-9-15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyPLZRWQTVODZDHO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds3

About 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid

2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid (PubChem CID 58136087) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid
PubChem CID58136087
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid
SMILESCN1CCC(N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-6-4-12(5-7-14)15-8-2-11(3-9-15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyPLZRWQTVODZDHO-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid (CID 58136087) is 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid is CN1CCC(N2CCC(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid?
The InChIKey is PLZRWQTVODZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-6-4-12(5-7-14)15-8-2-11(3-9-15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid?
2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 58136087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).