2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid

C9H15F2NO2 — CID 163976767

IUPAC2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid
SMILESCCN1C[C@@H](CC(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-12-5-7(3-8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeySUVAWHFPSMTUEO-ZETCQYMHSA-N
MW207.22 g/mol
LogP1.44
Rot. Bonds3

About 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid

2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid (PubChem CID 163976767) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid
PubChem CID163976767
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid
SMILESCCN1C[C@@H](CC(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-12-5-7(3-8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeySUVAWHFPSMTUEO-ZETCQYMHSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
2-(1-Methylpiperidin-3-yl)acetic acid hydrochloride
CID 77253672
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)-2,2-difluoroacetic acid
CID 105521267
2-Methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride
CID 119031002
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-(1-Methylpiperidin-3-yl)acetic acid
CID 10511128
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid
CID 19622790
3-(1-Methylpiperidin-4-YL)propanoic acid
CID 22056660
1-(2,2-Difluoro-4-methylpentanoyl)piperidine-4-carboxylic acid
CID 57700500
1-(3,3,3-Trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid (CID 163976767) is 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid is CCN1C[C@@H](CC(=O)O)CC(F)(F)C1.
What is the InChIKey of 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid?
The InChIKey is SUVAWHFPSMTUEO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-12-5-7(3-8(13)14)4-9(10,11)6-12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid?
2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid has a molecular weight of 207.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-ethyl-5,5-difluoropiperidin-3-yl]acetic acid is sourced from PubChem (CID 163976767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).