2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid

C14H25NO3 — CID 65060201

IUPAC2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid
SMILESCCC1CC(N2CCCC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-2-13-9-12(5-7-18-13)15-6-3-4-11(10-15)8-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyNDQUEGIUMJNAFI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds4

About 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid

2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid (PubChem CID 65060201) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid
PubChem CID65060201
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid
SMILESCCC1CC(N2CCCC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-2-13-9-12(5-7-18-13)15-6-3-4-11(10-15)8-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyNDQUEGIUMJNAFI-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid (CID 65060201) is 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid is CCC1CC(N2CCCC(CC(=O)O)C2)CCO1.
What is the InChIKey of 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is NDQUEGIUMJNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-13-9-12(5-7-18-13)15-6-3-4-11(10-15)8-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid?
2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyloxan-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65060201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).