4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride

C9H17FN2O — CID 59110312

IUPAC4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride
SMILESCCC1CCN(C(=O)F)CC1NC
InChIInChI=1S/C9H17FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyJXEBUHMXHCNUOR-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.40
Rot. Bonds2

About 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride

4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride (PubChem CID 59110312) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride
PubChem CID59110312
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride
SMILESCCC1CCN(C(=O)F)CC1NC
InChIInChI=1S/C9H17FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyJXEBUHMXHCNUOR-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.40
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

2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886580
N-(propan-2-yl)-N'-{[1-(propan-2-yl)piperidin-4-yl]methyl}ethanediamide
CID 16886629
N-[1-(2,4-dimethylpentyl)piperidin-3-yl]acetamide
CID 121554932
3,3,3-Trifluoro-1-[4-methyl-3-(methylamino)piperidin-1-yl]propan-1-one
CID 21983824
N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]propan-2-amine
CID 58718148
(3S,4S)-4-(2-fluoroethyl)-N-methylpiperidin-3-amine
CID 59110301
Tert-butyl-[5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420391
tert-butyl-[(3R,5S)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420392

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride?
The IUPAC name of 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride (CID 59110312) is 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride is CCC1CCN(C(=O)F)CC1NC.
What is the InChIKey of 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride?
The InChIKey is JXEBUHMXHCNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride?
4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride has a molecular weight of 188.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methylamino)piperidine-1-carbonyl fluoride is sourced from PubChem (CID 59110312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).