1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine

C15H22ClNO2 — CID 2245896

IUPAC1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
SMILESClc1cccc(OCCOCCN2CCCCC2)c1
InChIInChI=1S/C15H22ClNO2/c16-14-5-4-6-15(13-14)19-12-11-18-10-9-17-7-2-1-3-8-17/h4-6,13H,1-3,7-12H2
InChIKeyOZSJPWDRDLCGES-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine

1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine (PubChem CID 2245896) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
PubChem CID2245896
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
SMILESClc1cccc(OCCOCCN2CCCCC2)c1
InChIInChI=1S/C15H22ClNO2/c16-14-5-4-6-15(13-14)19-12-11-18-10-9-17-7-2-1-3-8-17/h4-6,13H,1-3,7-12H2
InChIKeyOZSJPWDRDLCGES-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
CID 10952974
CID 10952974
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine (CID 2245896) is 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine is Clc1cccc(OCCOCCN2CCCCC2)c1.
What is the InChIKey of 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine?
The InChIKey is OZSJPWDRDLCGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-5-4-6-15(13-14)19-12-11-18-10-9-17-7-2-1-3-8-17/h4-6,13H,1-3,7-12H2.
What are the key properties of 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine?
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine has a molecular weight of 283.80 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 2245896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).