1-[2-(2-chlorophenoxy)ethyl]piperidine

C13H18ClNO — CID 742763

IUPAC1-[2-(2-chlorophenoxy)ethyl]piperidine
SMILESClc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C13H18ClNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyBQBFAQWCQRNARN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]piperidine

1-[2-(2-chlorophenoxy)ethyl]piperidine (PubChem CID 742763) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]piperidine
PubChem CID742763
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]piperidine
SMILESClc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C13H18ClNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyBQBFAQWCQRNARN-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chlorophenoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]piperidine (CID 742763) is 1-[2-(2-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]piperidine is Clc1ccccc1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]piperidine?
The InChIKey is BQBFAQWCQRNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]piperidine?
1-[2-(2-chlorophenoxy)ethyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 742763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).