3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid

C14H26N2O2 — CID 58136068

IUPAC3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCN1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-8-6-13(7-9-15)16-10-4-12(5-11-16)2-3-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyOANFQKVJNJZHGK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds4

About 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 58136068) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID58136068
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCN1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-8-6-13(7-9-15)16-10-4-12(5-11-16)2-3-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyOANFQKVJNJZHGK-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid (CID 58136068) is 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid is CN1CCC(N2CCC(CCC(=O)O)CC2)CC1.
What is the InChIKey of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is OANFQKVJNJZHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-8-6-13(7-9-15)16-10-4-12(5-11-16)2-3-14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 58136068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).