4-(4,4-difluoropentyl)piperidine-2-carboxylic acid

C11H19F2NO2 — CID 18446268

IUPAC4-(4,4-difluoropentyl)piperidine-2-carboxylic acid
SMILESCC(F)(F)CCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H19F2NO2/c1-11(12,13)5-2-3-8-4-6-14-9(7-8)10(15)16/h8-9,14H,2-7H2,1H3,(H,15,16)
InChIKeyMMWGBXBWMSAGMM-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.26
Rot. Bonds5

About 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid

4-(4,4-difluoropentyl)piperidine-2-carboxylic acid (PubChem CID 18446268) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-difluoropentyl)piperidine-2-carboxylic acid
PubChem CID18446268
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name4-(4,4-difluoropentyl)piperidine-2-carboxylic acid
SMILESCC(F)(F)CCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H19F2NO2/c1-11(12,13)5-2-3-8-4-6-14-9(7-8)10(15)16/h8-9,14H,2-7H2,1H3,(H,15,16)
InChIKeyMMWGBXBWMSAGMM-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid (CID 18446268) is 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid is CC(F)(F)CCCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid?
The InChIKey is MMWGBXBWMSAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-11(12,13)5-2-3-8-4-6-14-9(7-8)10(15)16/h8-9,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid?
4-(4,4-difluoropentyl)piperidine-2-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropentyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).