4-aminopiperidine-1-carbonyl fluoride

C6H11FN2O — CID 155971034

IUPAC4-aminopiperidine-1-carbonyl fluoride
SMILESNC1CCN(C(=O)F)CC1
InChIInChI=1S/C6H11FN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2
InChIKeyIASIEAQLWCIWJZ-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.50
Rot. Bonds

About 4-aminopiperidine-1-carbonyl fluoride

4-aminopiperidine-1-carbonyl fluoride (PubChem CID 155971034) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-aminopiperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-aminopiperidine-1-carbonyl fluoride
PubChem CID155971034
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name4-aminopiperidine-1-carbonyl fluoride
SMILESNC1CCN(C(=O)F)CC1
InChIInChI=1S/C6H11FN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2
InChIKeyIASIEAQLWCIWJZ-UHFFFAOYSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Aminopiperidin-1-yl)ethan-1-one
CID 4962477
4-Aminopiperidine-1-carboxamide
CID 445261
N-[1-(2-fluoroethyl)piperidin-4-yl]acetamide
CID 130652776
4-Aminopiperidine-1-carbonyl fluoride hydrochloride
CID 155971033
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
CID 135063588
1-(2-Fluoroethyl)piperidin-4-amine
CID 16748092
1-(4-Aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-(4-Aminopiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45080916
4-Piperidinamine, 1-(fluoroacetyl)-
CID 45088628
2,2,2-trifluoro-N-(1-methanidylpiperidin-1-ium-4-yl)acetamide
CID 59822091
N-piperidin-4-ylcarbamoyl fluoride
CID 60070763
N-(1-ethylpiperidin-4-yl)carbamoyl fluoride
CID 60070764

Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-1-carbonyl fluoride?
The IUPAC name of 4-aminopiperidine-1-carbonyl fluoride (CID 155971034) is 4-aminopiperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-aminopiperidine-1-carbonyl fluoride?
The canonical SMILES for 4-aminopiperidine-1-carbonyl fluoride is NC1CCN(C(=O)F)CC1.
What is the InChIKey of 4-aminopiperidine-1-carbonyl fluoride?
The InChIKey is IASIEAQLWCIWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2.
What are the key properties of 4-aminopiperidine-1-carbonyl fluoride?
4-aminopiperidine-1-carbonyl fluoride has a molecular weight of 146.16 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-1-carbonyl fluoride is sourced from PubChem (CID 155971034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).