4-(fluoromethylamino)piperidine-4-carboxylic acid

C7H13FN2O2 — CID 89018161

IUPAC4-(fluoromethylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1(NCF)CCNCC1
InChIInChI=1S/C7H13FN2O2/c8-5-10-7(6(11)12)1-3-9-4-2-7/h9-10H,1-5H2,(H,11,12)
InChIKeyWKTFWPYGJXAHRD-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.29
Rot. Bonds3

About 4-(fluoromethylamino)piperidine-4-carboxylic acid

4-(fluoromethylamino)piperidine-4-carboxylic acid (PubChem CID 89018161) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(fluoromethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethylamino)piperidine-4-carboxylic acid
PubChem CID89018161
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name4-(fluoromethylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1(NCF)CCNCC1
InChIInChI=1S/C7H13FN2O2/c8-5-10-7(6(11)12)1-3-9-4-2-7/h9-10H,1-5H2,(H,11,12)
InChIKeyWKTFWPYGJXAHRD-UHFFFAOYSA-N
XLogP-0.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 4-(fluoromethylamino)piperidine-4-carboxylic acid (CID 89018161) is 4-(fluoromethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(fluoromethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(fluoromethylamino)piperidine-4-carboxylic acid is O=C(O)C1(NCF)CCNCC1.
What is the InChIKey of 4-(fluoromethylamino)piperidine-4-carboxylic acid?
The InChIKey is WKTFWPYGJXAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-5-10-7(6(11)12)1-3-9-4-2-7/h9-10H,1-5H2,(H,11,12).
What are the key properties of 4-(fluoromethylamino)piperidine-4-carboxylic acid?
4-(fluoromethylamino)piperidine-4-carboxylic acid has a molecular weight of 176.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 89018161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).