4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C11H19ClF3NO2 — CID 82701438

IUPAC4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCC(OCCCl)CC1
InChIInChI=1S/C11H19ClF3NO2/c12-3-7-18-10-1-4-16(5-2-10)6-8-17-9-11(13,14)15/h10H,1-9H2
InChIKeyFPZXEIQJOYLBKQ-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.29
Rot. Bonds7

About 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 82701438) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID82701438
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC Name4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCC(OCCCl)CC1
InChIInChI=1S/C11H19ClF3NO2/c12-3-7-18-10-1-4-16(5-2-10)6-8-17-9-11(13,14)15/h10H,1-9H2
InChIKeyFPZXEIQJOYLBKQ-UHFFFAOYSA-N
XLogP2.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
CID 82701207
4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 112591845
3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
CID 63387608
1-(2-tert-butylsulfonylethyl)-4-(2-chloroethoxy)piperidine
CID 106731247
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
4-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655
4-(1-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 106838250
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592230
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
CID 63853081

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 82701438) is 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is FC(F)(F)COCCN1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is FPZXEIQJOYLBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2/c12-3-7-18-10-1-4-16(5-2-10)6-8-17-9-11(13,14)15/h10H,1-9H2.
What are the key properties of 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 289.73 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 82701438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).