4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride

C11H13Cl4NO — CID 53409861

IUPAC4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
SMILESCl.Clc1cc(Cl)c(OC2CCNCC2)cc1Cl
InChIInChI=1S/C11H12Cl3NO.ClH/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7;/h5-7,15H,1-4H2;1H
InChIKeyFNVHYFWGOROEGO-UHFFFAOYSA-N
MW317.04 g/mol
LogP4.20
Rot. Bonds2

About 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride

4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride (PubChem CID 53409861) has the molecular formula C11H13Cl4NO and a molecular weight of 317.04 g/mol. Its IUPAC name is 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
PubChem CID53409861
Molecular FormulaC11H13Cl4NO
Molecular Weight317.04 g/mol
Exact Mass314.98
IUPAC Name4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
SMILESCl.Clc1cc(Cl)c(OC2CCNCC2)cc1Cl
InChIInChI=1S/C11H12Cl3NO.ClH/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7;/h5-7,15H,1-4H2;1H
InChIKeyFNVHYFWGOROEGO-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride (CID 53409861) is 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride is Cl.Clc1cc(Cl)c(OC2CCNCC2)cc1Cl.
What is the InChIKey of 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride?
The InChIKey is FNVHYFWGOROEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO.ClH/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7;/h5-7,15H,1-4H2;1H.
What are the key properties of 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride?
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride has a molecular weight of 317.04 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 53409861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).