4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid

C9H15F2NO2 — CID 18446277

IUPAC4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(CCCF)CCN1
InChIInChI=1S/C9H15F2NO2/c10-4-1-2-9(11)3-5-12-7(6-9)8(13)14/h7,12H,1-6H2,(H,13,14)
InChIKeyLWUVSPVMBSNJGF-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.28
Rot. Bonds4

About 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid

4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid (PubChem CID 18446277) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid
PubChem CID18446277
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(CCCF)CCN1
InChIInChI=1S/C9H15F2NO2/c10-4-1-2-9(11)3-5-12-7(6-9)8(13)14/h7,12H,1-6H2,(H,13,14)
InChIKeyLWUVSPVMBSNJGF-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Piperidinedicarboxylic acid
CID 557515
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
rac-(2R,4R)-4-methylpiperidine-2-carboxylic acid hydrochloride
CID 67078918
8-Azaspiro[4.5]decane-7-carboxylic acid
CID 105440619
4,4-Difluoropiperidine-2-carboxylic acid hydrochloride
CID 137468597
(2S,4S)-4-Methylpiperidine-2-carboxylic acid
CID 44631639
(2S,4R)-4-undecylpiperidine-2-carboxylic acid
CID 155525055
4-Methylpiperidine-2-carboxylic acid
CID 4478243
4,4-dimethylpiperidine-2-carboxylic Acid
CID 10487130
(2S,4R)-4-methylpipecolic acid
CID 56976029

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid (CID 18446277) is 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid is O=C(O)C1CC(F)(CCCF)CCN1.
What is the InChIKey of 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The InChIKey is LWUVSPVMBSNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-4-1-2-9(11)3-5-12-7(6-9)8(13)14/h7,12H,1-6H2,(H,13,14).
What are the key properties of 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid?
4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid has a molecular weight of 207.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-fluoropropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).