4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride

C9H17FN2O — CID 155739276

IUPAC4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride
SMILESCCN(C)C1CCN(C(=O)F)CC1
InChIInChI=1S/C9H17FN2O/c1-3-11(2)8-4-6-12(7-5-8)9(10)13/h8H,3-7H2,1-2H3
InChIKeyGWJNYRLYZDMJAN-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.49
Rot. Bonds2

About 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride

4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride (PubChem CID 155739276) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride
PubChem CID155739276
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride
SMILESCCN(C)C1CCN(C(=O)F)CC1
InChIInChI=1S/C9H17FN2O/c1-3-11(2)8-4-6-12(7-5-8)9(10)13/h8H,3-7H2,1-2H3
InChIKeyGWJNYRLYZDMJAN-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.49
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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Related Compounds

4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
1-[4-(Diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 63821595
1,3,3-Trimethyl-1-(1-methylpiperidin-4-yl)urea
CID 3470769
N-ethyl-2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)acetamide
CID 59870788
N-(1-ethylpiperidin-4-yl)carbamoyl fluoride
CID 60070764
2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 60707975
2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 63374840
(1-Ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
CID 68804194
1-Fluorobutyl-(1-propan-2-ylpiperidin-4-yl)carbamic acid
CID 68805505
[2-(Fluoromethyl)-1-methylpiperidin-4-yl]-methylcarbamic acid
CID 68841153
1-[4-(Dimethylamino)piperidin-1-yl]-2-fluoroethanone
CID 123725491
N-(2,2-difluoroethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 126549497

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride (CID 155739276) is 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride is CCN(C)C1CCN(C(=O)F)CC1.
What is the InChIKey of 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride?
The InChIKey is GWJNYRLYZDMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-11(2)8-4-6-12(7-5-8)9(10)13/h8H,3-7H2,1-2H3.
What are the key properties of 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride?
4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride has a molecular weight of 188.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 155739276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).