4-aminopiperidine-1-carbonyl fluoride;hydrochloride

C6H12ClFN2O — CID 155971033

IUPAC4-aminopiperidine-1-carbonyl fluoride;hydrochloride
SMILESCl.NC1CCN(C(=O)F)CC1
InChIInChI=1S/C6H11FN2O.ClH/c7-6(10)9-3-1-5(8)2-4-9;/h5H,1-4,8H2;1H
InChIKeyVHHCFRORRFJPNO-UHFFFAOYSA-N
MW182.63 g/mol
LogP0.92
Rot. Bonds

About 4-aminopiperidine-1-carbonyl fluoride;hydrochloride

4-aminopiperidine-1-carbonyl fluoride;hydrochloride (PubChem CID 155971033) has the molecular formula C6H12ClFN2O and a molecular weight of 182.63 g/mol. Its IUPAC name is 4-aminopiperidine-1-carbonyl fluoride;hydrochloride.

Molecular Properties

Compound Name4-aminopiperidine-1-carbonyl fluoride;hydrochloride
PubChem CID155971033
Molecular FormulaC6H12ClFN2O
Molecular Weight182.63 g/mol
Exact Mass182.06
IUPAC Name4-aminopiperidine-1-carbonyl fluoride;hydrochloride
SMILESCl.NC1CCN(C(=O)F)CC1
InChIInChI=1S/C6H11FN2O.ClH/c7-6(10)9-3-1-5(8)2-4-9;/h5H,1-4,8H2;1H
InChIKeyVHHCFRORRFJPNO-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.63
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-1-carbonyl fluoride;hydrochloride?
The IUPAC name of 4-aminopiperidine-1-carbonyl fluoride;hydrochloride (CID 155971033) is 4-aminopiperidine-1-carbonyl fluoride;hydrochloride.
What is the SMILES notation for 4-aminopiperidine-1-carbonyl fluoride;hydrochloride?
The canonical SMILES for 4-aminopiperidine-1-carbonyl fluoride;hydrochloride is Cl.NC1CCN(C(=O)F)CC1.
What is the InChIKey of 4-aminopiperidine-1-carbonyl fluoride;hydrochloride?
The InChIKey is VHHCFRORRFJPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O.ClH/c7-6(10)9-3-1-5(8)2-4-9;/h5H,1-4,8H2;1H.
What are the key properties of 4-aminopiperidine-1-carbonyl fluoride;hydrochloride?
4-aminopiperidine-1-carbonyl fluoride;hydrochloride has a molecular weight of 182.63 g/mol, XLogP of 0.92, 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;hydrochloride is sourced from PubChem (CID 155971033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).