3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid

C10H18FNO5 — CID 87441179

IUPAC3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid
SMILESCOC1(OC)CCN(C(=O)O)CC1OCCF
InChIInChI=1S/C10H18FNO5/c1-15-10(16-2)3-5-12(9(13)14)7-8(10)17-6-4-11/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyDFUMEALXXNLTLN-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.71
Rot. Bonds5

About 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid

3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid (PubChem CID 87441179) has the molecular formula C10H18FNO5 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid
PubChem CID87441179
Molecular FormulaC10H18FNO5
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid
SMILESCOC1(OC)CCN(C(=O)O)CC1OCCF
InChIInChI=1S/C10H18FNO5/c1-15-10(16-2)3-5-12(9(13)14)7-8(10)17-6-4-11/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyDFUMEALXXNLTLN-UHFFFAOYSA-N
XLogP0.71
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid?
The IUPAC name of 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid (CID 87441179) is 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid is COC1(OC)CCN(C(=O)O)CC1OCCF.
What is the InChIKey of 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid?
The InChIKey is DFUMEALXXNLTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO5/c1-15-10(16-2)3-5-12(9(13)14)7-8(10)17-6-4-11/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid?
3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid has a molecular weight of 251.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87441179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).