(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate

C14H27NO3 — CID 89097628

IUPAC(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(OC(C)C)C(C)(C)C1
InChIInChI=1S/C14H27NO3/c1-10(2)18-15-13(4,5)8-12(17-11(3)16)9-14(15,6)7/h10,12H,8-9H2,1-7H3
InChIKeyDHISODHRKMLSAC-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.91
Rot. Bonds3

About (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate

(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate (PubChem CID 89097628) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
PubChem CID89097628
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(OC(C)C)C(C)(C)C1
InChIInChI=1S/C14H27NO3/c1-10(2)18-15-13(4,5)8-12(17-11(3)16)9-14(15,6)7/h10,12H,8-9H2,1-7H3
InChIKeyDHISODHRKMLSAC-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate?
The IUPAC name of (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate (CID 89097628) is (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(OC(C)C)C(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate?
The InChIKey is DHISODHRKMLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)18-15-13(4,5)8-12(17-11(3)16)9-14(15,6)7/h10,12H,8-9H2,1-7H3.
What are the key properties of (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate?
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate has a molecular weight of 257.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate is sourced from PubChem (CID 89097628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).