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

C13H18ClNO — CID 22309129

IUPAC3-[2-(3-chlorophenoxy)ethyl]piperidine
SMILESClc1cccc(OCCC2CCCNC2)c1
InChIInChI=1S/C13H18ClNO/c14-12-4-1-5-13(9-12)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2
InChIKeyIILDPWLLLDABKQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.11
Rot. Bonds4

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

3-[2-(3-chlorophenoxy)ethyl]piperidine (PubChem CID 22309129) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)ethyl]piperidine
PubChem CID22309129
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[2-(3-chlorophenoxy)ethyl]piperidine
SMILESClc1cccc(OCCC2CCCNC2)c1
InChIInChI=1S/C13H18ClNO/c14-12-4-1-5-13(9-12)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2
InChIKeyIILDPWLLLDABKQ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]piperidine (CID 22309129) is 3-[2-(3-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(3-chlorophenoxy)ethyl]piperidine is Clc1cccc(OCCC2CCCNC2)c1.
What is the InChIKey of 3-[2-(3-chlorophenoxy)ethyl]piperidine?
The InChIKey is IILDPWLLLDABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-4-1-5-13(9-12)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2.
What are the key properties of 3-[2-(3-chlorophenoxy)ethyl]piperidine?
3-[2-(3-chlorophenoxy)ethyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 22309129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).