1-ethylpiperidine;2,2,2-trichloroacetic acid

C9H16Cl3NO2 — CID 22623631

IUPAC1-ethylpiperidine;2,2,2-trichloroacetic acid
SMILESCCN1CCCCC1.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H15N.C2HCl3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyUCVILSLIWQLPPJ-UHFFFAOYSA-N
MW276.59 g/mol
LogP2.93
Rot. Bonds1

About 1-ethylpiperidine;2,2,2-trichloroacetic acid

1-ethylpiperidine;2,2,2-trichloroacetic acid (PubChem CID 22623631) has the molecular formula C9H16Cl3NO2 and a molecular weight of 276.59 g/mol. Its IUPAC name is 1-ethylpiperidine;2,2,2-trichloroacetic acid.

Molecular Properties

Compound Name1-ethylpiperidine;2,2,2-trichloroacetic acid
PubChem CID22623631
Molecular FormulaC9H16Cl3NO2
Molecular Weight276.59 g/mol
Exact Mass275.02
IUPAC Name1-ethylpiperidine;2,2,2-trichloroacetic acid
SMILESCCN1CCCCC1.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H15N.C2HCl3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyUCVILSLIWQLPPJ-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethylpiperidine
CID 13007
dichloromethane;1-ethylpiperidine
CID 174832061
1-ethylpiperidine;methane
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ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
CID 174577281
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-ethylpyrrolidine;2-methylprop-2-enamide
CID 163676291
2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 62270634
CID 173085999
CID 173085999

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;2,2,2-trichloroacetic acid?
The IUPAC name of 1-ethylpiperidine;2,2,2-trichloroacetic acid (CID 22623631) is 1-ethylpiperidine;2,2,2-trichloroacetic acid.
What is the SMILES notation for 1-ethylpiperidine;2,2,2-trichloroacetic acid?
The canonical SMILES for 1-ethylpiperidine;2,2,2-trichloroacetic acid is CCN1CCCCC1.O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1-ethylpiperidine;2,2,2-trichloroacetic acid?
The InChIKey is UCVILSLIWQLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HCl3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7).
What are the key properties of 1-ethylpiperidine;2,2,2-trichloroacetic acid?
1-ethylpiperidine;2,2,2-trichloroacetic acid has a molecular weight of 276.59 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;2,2,2-trichloroacetic acid is sourced from PubChem (CID 22623631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).