2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid

C10H17F2NO3 — CID 139341811

IUPAC2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
SMILESCC(C)N1CCC(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-4-3-8(10(11,12)6-13)16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyHEOBUOZJGRRJSY-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid

2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid (PubChem CID 139341811) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
PubChem CID139341811
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
SMILESCC(C)N1CCC(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-4-3-8(10(11,12)6-13)16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyHEOBUOZJGRRJSY-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-Methylpiperidin-4-yl)oxy]acetic acid hydrochloride
CID 122236319
2-((1-Methylpiperidin-4-yl)oxy)acetic acid
CID 20719673
2-(3,5-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134533988
2-(3-Fluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534000
2-(3,3,5,5-Tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 134534001
2-(3,3-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534012
2-(5,5-Difluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134534013
2-[(6,6-Difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid
CID 139341807
2-(3,5-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341808
2-(1-Ethyl-5,5-difluoropiperidin-3-yl)oxyacetic acid
CID 139341883
2-(1-Tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid
CID 139341887
2-(1-Tert-butyl-3,5-difluoropiperidin-4-yl)oxyacetic acid
CID 139341889

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid (CID 139341811) is 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid is CC(C)N1CCC(OCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The InChIKey is HEOBUOZJGRRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(2)13-4-3-8(10(11,12)6-13)16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 139341811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).