1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine

C13H16Cl3NO — CID 5336537

IUPAC1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
SMILESClc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c14-10-8-11(15)13(12(16)9-10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2
InChIKeyATCCNTNFJLQDCY-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine

1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine (PubChem CID 5336537) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
PubChem CID5336537
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
SMILESClc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c14-10-8-11(15)13(12(16)9-10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2
InChIKeyATCCNTNFJLQDCY-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54930466
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
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1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
CID 171109307
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
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CID 43162548
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
3-chloro-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzonitrile
CID 20986085
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 107738824
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
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1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine (CID 5336537) is 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine is Clc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine?
The InChIKey is ATCCNTNFJLQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c14-10-8-11(15)13(12(16)9-10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2.
What are the key properties of 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine?
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine has a molecular weight of 308.64 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 5336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).