4-(dimethylamino)piperidine-1-carbonyl fluoride

C8H15FN2O — CID 138493209

IUPAC4-(dimethylamino)piperidine-1-carbonyl fluoride
SMILESCN(C)C1CCN(C(=O)F)CC1
InChIInChI=1S/C8H15FN2O/c1-10(2)7-3-5-11(6-4-7)8(9)12/h7H,3-6H2,1-2H3
InChIKeyUMLFTBORNIEQFI-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.10
Rot. Bonds1

About 4-(dimethylamino)piperidine-1-carbonyl fluoride

4-(dimethylamino)piperidine-1-carbonyl fluoride (PubChem CID 138493209) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-(dimethylamino)piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-(dimethylamino)piperidine-1-carbonyl fluoride
PubChem CID138493209
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name4-(dimethylamino)piperidine-1-carbonyl fluoride
SMILESCN(C)C1CCN(C(=O)F)CC1
InChIInChI=1S/C8H15FN2O/c1-10(2)7-3-5-11(6-4-7)8(9)12/h7H,3-6H2,1-2H3
InChIKeyUMLFTBORNIEQFI-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-(dimethylamino)piperidine-1-carbonyl fluoride?
The IUPAC name of 4-(dimethylamino)piperidine-1-carbonyl fluoride (CID 138493209) is 4-(dimethylamino)piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-(dimethylamino)piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-(dimethylamino)piperidine-1-carbonyl fluoride is CN(C)C1CCN(C(=O)F)CC1.
What is the InChIKey of 4-(dimethylamino)piperidine-1-carbonyl fluoride?
The InChIKey is UMLFTBORNIEQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-10(2)7-3-5-11(6-4-7)8(9)12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(dimethylamino)piperidine-1-carbonyl fluoride?
4-(dimethylamino)piperidine-1-carbonyl fluoride has a molecular weight of 174.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)piperidine-1-carbonyl fluoride is sourced from PubChem (CID 138493209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).