4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine

C20H24ClNO — CID 56830481

IUPAC4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCCC2CCNCC2)c(Cc2ccccc2)c1
InChIInChI=1S/C20H24ClNO/c21-19-6-7-20(23-13-10-16-8-11-22-12-9-16)18(15-19)14-17-4-2-1-3-5-17/h1-7,15-16,22H,8-14H2
InChIKeyGZCPXAREKCFTDI-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.70
Rot. Bonds6

About 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine

4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine (PubChem CID 56830481) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
PubChem CID56830481
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCCC2CCNCC2)c(Cc2ccccc2)c1
InChIInChI=1S/C20H24ClNO/c21-19-6-7-20(23-13-10-16-8-11-22-12-9-16)18(15-19)14-17-4-2-1-3-5-17/h1-7,15-16,22H,8-14H2
InChIKeyGZCPXAREKCFTDI-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine (CID 56830481) is 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine is Clc1ccc(OCCC2CCNCC2)c(Cc2ccccc2)c1.
What is the InChIKey of 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine?
The InChIKey is GZCPXAREKCFTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-19-6-7-20(23-13-10-16-8-11-22-12-9-16)18(15-19)14-17-4-2-1-3-5-17/h1-7,15-16,22H,8-14H2.
What are the key properties of 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine?
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine has a molecular weight of 329.87 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 56830481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).