(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine

C13H17Cl2NO — CID 28749903

IUPAC(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
SMILESClc1ccc(Cl)c(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m0/s1
InChIKeyBTDKHBOOXTVCAU-NSHDSACASA-N
MW274.19 g/mol
LogP3.90
Rot. Bonds4

About (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine

(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine (PubChem CID 28749903) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
PubChem CID28749903
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
SMILESClc1ccc(Cl)c(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m0/s1
InChIKeyBTDKHBOOXTVCAU-NSHDSACASA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
CID 53408946
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine (CID 28749903) is (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine is Clc1ccc(Cl)c(OCC[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine?
The InChIKey is BTDKHBOOXTVCAU-NSHDSACASA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine?
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine has a molecular weight of 274.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 28749903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).