2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid

C14H25NO4 — CID 70272502

IUPAC2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
SMILESCCCCC1CC(CC(=O)O)CCN1C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-5-6-12-9-11(10-13(16)17)7-8-15(12)14(18)19-4-2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyVNGFLGWPDBMFPZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid

2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid (PubChem CID 70272502) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
PubChem CID70272502
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
SMILESCCCCC1CC(CC(=O)O)CCN1C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-5-6-12-9-11(10-13(16)17)7-8-15(12)14(18)19-4-2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyVNGFLGWPDBMFPZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid (CID 70272502) is 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid is CCCCC1CC(CC(=O)O)CCN1C(=O)OCC.
What is the InChIKey of 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid?
The InChIKey is VNGFLGWPDBMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-5-6-12-9-11(10-13(16)17)7-8-15(12)14(18)19-4-2/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid?
2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid has a molecular weight of 271.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 70272502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).