4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine

C13H16Cl3NO — CID 56830089

IUPAC4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
SMILESClc1cc(Cl)c(OCCC2CCNCC2)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c14-10-7-12(16)13(8-11(10)15)18-6-3-9-1-4-17-5-2-9/h7-9,17H,1-6H2
InChIKeyDPGWWTYNEWGPFD-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.42
Rot. Bonds4

About 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine

4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine (PubChem CID 56830089) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
PubChem CID56830089
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
SMILESClc1cc(Cl)c(OCCC2CCNCC2)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c14-10-7-12(16)13(8-11(10)15)18-6-3-9-1-4-17-5-2-9/h7-9,17H,1-6H2
InChIKeyDPGWWTYNEWGPFD-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870
(3S)-3-[(2,4,5-trichlorophenoxy)methyl]pyrrolidine
CID 86320986
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 53410049
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine
CID 53409973
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392
tert-butyl 5-chloro-2-fluoro-4-(2-piperidin-4-ylethoxy)benzoate
CID 174800125
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine (CID 56830089) is 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine is Clc1cc(Cl)c(OCCC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine?
The InChIKey is DPGWWTYNEWGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c14-10-7-12(16)13(8-11(10)15)18-6-3-9-1-4-17-5-2-9/h7-9,17H,1-6H2.
What are the key properties of 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine?
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine has a molecular weight of 308.64 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 56830089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).