tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate

C14H26FNO5 — CID 86648640

IUPACtert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OC(C)(C)C)CC1OCCF
InChIInChI=1S/C14H26FNO5/c1-13(2,3)21-12(17)16-8-6-14(18-4,19-5)11(10-16)20-9-7-15/h11H,6-10H2,1-5H3
InChIKeyVZMRFWLDLMHGNP-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate

tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate (PubChem CID 86648640) has the molecular formula C14H26FNO5 and a molecular weight of 307.36 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate
PubChem CID86648640
Molecular FormulaC14H26FNO5
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OC(C)(C)C)CC1OCCF
InChIInChI=1S/C14H26FNO5/c1-13(2,3)21-12(17)16-8-6-14(18-4,19-5)11(10-16)20-9-7-15/h11H,6-10H2,1-5H3
InChIKeyVZMRFWLDLMHGNP-UHFFFAOYSA-N
XLogP1.97
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate (CID 86648640) is tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate is COC1(OC)CCN(C(=O)OC(C)(C)C)CC1OCCF.
What is the InChIKey of tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate?
The InChIKey is VZMRFWLDLMHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO5/c1-13(2,3)21-12(17)16-8-6-14(18-4,19-5)11(10-16)20-9-7-15/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate?
tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate has a molecular weight of 307.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluoroethoxy)-4,4-dimethoxypiperidine-1-carboxylate is sourced from PubChem (CID 86648640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).