3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid

C7H12FN3O3 — CID 175707691

IUPAC3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid
SMILESNNC(=O)C1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C7H12FN3O3/c8-5-1-4(6(12)10-9)2-11(3-5)7(13)14/h4-5H,1-3,9H2,(H,10,12)(H,13,14)
InChIKeyYBHSFBRKDVRCEC-UHFFFAOYSA-N
MW205.19 g/mol
LogP-0.69
Rot. Bonds1

About 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid

3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid (PubChem CID 175707691) has the molecular formula C7H12FN3O3 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid
PubChem CID175707691
Molecular FormulaC7H12FN3O3
Molecular Weight205.19 g/mol
Exact Mass205.09
IUPAC Name3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid
SMILESNNC(=O)C1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C7H12FN3O3/c8-5-1-4(6(12)10-9)2-11(3-5)7(13)14/h4-5H,1-3,9H2,(H,10,12)(H,13,14)
InChIKeyYBHSFBRKDVRCEC-UHFFFAOYSA-N
XLogP-0.69
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid (CID 175707691) is 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid is NNC(=O)C1CC(F)CN(C(=O)O)C1.
What is the InChIKey of 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
The InChIKey is YBHSFBRKDVRCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O3/c8-5-1-4(6(12)10-9)2-11(3-5)7(13)14/h4-5H,1-3,9H2,(H,10,12)(H,13,14).
What are the key properties of 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid?
3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid has a molecular weight of 205.19 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175707691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).