ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate

C13H23F2NO3 — CID 114079444

IUPACethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(CC(C)C)CC1
InChIInChI=1S/C13H23F2NO3/c1-4-19-11(17)13(14,15)12(18)5-7-16(8-6-12)9-10(2)3/h10,18H,4-9H2,1-3H3
InChIKeyYUNHYLCQFWDMIW-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.67
Rot. Bonds5

About ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate

ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate (PubChem CID 114079444) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
PubChem CID114079444
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Nameethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(CC(C)C)CC1
InChIInChI=1S/C13H23F2NO3/c1-4-19-11(17)13(14,15)12(18)5-7-16(8-6-12)9-10(2)3/h10,18H,4-9H2,1-3H3
InChIKeyYUNHYLCQFWDMIW-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-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 ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate (CID 114079444) is ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate is CCOC(=O)C(F)(F)C1(O)CCN(CC(C)C)CC1.
What is the InChIKey of ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate?
The InChIKey is YUNHYLCQFWDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c1-4-19-11(17)13(14,15)12(18)5-7-16(8-6-12)9-10(2)3/h10,18H,4-9H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate?
ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate has a molecular weight of 279.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate is sourced from PubChem (CID 114079444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).