1-(3,3-difluorobutyl)piperidine-3-carboxylic acid

C10H17F2NO2 — CID 84686575

IUPAC1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
SMILESCC(F)(F)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyRAMDIYUMVDQDHT-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.83
Rot. Bonds4

About 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid

1-(3,3-difluorobutyl)piperidine-3-carboxylic acid (PubChem CID 84686575) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
PubChem CID84686575
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
SMILESCC(F)(F)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyRAMDIYUMVDQDHT-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

1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
CID 114494750
1-(3,3-difluorobutyl)piperidine-3-carbonitrile
CID 84670667

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid (CID 84686575) is 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid is CC(F)(F)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid?
The InChIKey is RAMDIYUMVDQDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(11,12)4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid?
1-(3,3-difluorobutyl)piperidine-3-carboxylic 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 1-(3,3-difluorobutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 84686575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).