4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine

C15H21Cl2NO — CID 53409973

IUPAC4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine
SMILESCc1cc(OCCC2CCNCC2)c(Cl)c(C)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10-9-13(15(17)11(2)14(10)16)19-8-5-12-3-6-18-7-4-12/h9,12,18H,3-8H2,1-2H3
InChIKeyVYESHQHCAHAHTE-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.38
Rot. Bonds4

About 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine

4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine (PubChem CID 53409973) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine
PubChem CID53409973
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine
SMILESCc1cc(OCCC2CCNCC2)c(Cl)c(C)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10-9-13(15(17)11(2)14(10)16)19-8-5-12-3-6-18-7-4-12/h9,12,18H,3-8H2,1-2H3
InChIKeyVYESHQHCAHAHTE-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
(3R)-3-[(2-bromo-4-chloro-3,5-dimethylphenoxy)methyl]pyrrolidine
CID 86320027
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392
4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
CID 105061214
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 53410049

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine (CID 53409973) is 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine is Cc1cc(OCCC2CCNCC2)c(Cl)c(C)c1Cl.
What is the InChIKey of 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine?
The InChIKey is VYESHQHCAHAHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-10-9-13(15(17)11(2)14(10)16)19-8-5-12-3-6-18-7-4-12/h9,12,18H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine?
4-[2-(2,4-dichloro-3,5-dimethylphenoxy)ethyl]piperidine has a molecular weight of 302.25 g/mol, XLogP of 4.38, 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-dichloro-3,5-dimethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 53409973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).