3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid

C10H17F2NO2 — CID 121202511

IUPAC3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
SMILESCC(F)(F)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)8-3-2-5-13(7-8)6-4-9(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeySVVRJYFMOBOUKB-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.83
Rot. Bonds4

About 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid

3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid (PubChem CID 121202511) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
PubChem CID121202511
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
SMILESCC(F)(F)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)8-3-2-5-13(7-8)6-4-9(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeySVVRJYFMOBOUKB-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
3-(3-cyclohexylsulfanylpiperidin-1-yl)propanoic acid
CID 84755210
1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
CID 121202516
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
CID 105460001
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid (CID 121202511) is 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid is CC(F)(F)C1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid?
The InChIKey is SVVRJYFMOBOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(11,12)8-3-2-5-13(7-8)6-4-9(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid?
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid has a molecular weight of 221.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 121202511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).