4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine

C18H19Cl2NO — CID 154280821

IUPAC4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2NO/c1-21-10-8-13(9-11-21)15-4-2-3-5-18(15)22-14-6-7-16(19)17(20)12-14/h2-7,12-13H,8-11H2,1H3
InChIKeyCEOUJQRISARRMI-UHFFFAOYSA-N
MW336.26 g/mol
LogP5.59
Rot. Bonds3

About 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine

4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine (PubChem CID 154280821) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine
PubChem CID154280821
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2NO/c1-21-10-8-13(9-11-21)15-4-2-3-5-18(15)22-14-6-7-16(19)17(20)12-14/h2-7,12-13H,8-11H2,1H3
InChIKeyCEOUJQRISARRMI-UHFFFAOYSA-N
XLogP5.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine (CID 154280821) is 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine is CN1CCC(c2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine?
The InChIKey is CEOUJQRISARRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-21-10-8-13(9-11-21)15-4-2-3-5-18(15)22-14-6-7-16(19)17(20)12-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine?
4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine has a molecular weight of 336.26 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenoxy)phenyl]-1-methylpiperidine is sourced from PubChem (CID 154280821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).