(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine

C13H17Cl2NO — CID 86320969

IUPAC(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2/t10-/m1/s1
InChIKeyLSJKZJIHVUYTMZ-SNVBAGLBSA-N
MW274.19 g/mol
LogP3.76
Rot. Bonds4

About (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine

(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine (PubChem CID 86320969) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
PubChem CID86320969
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2/t10-/m1/s1
InChIKeyLSJKZJIHVUYTMZ-SNVBAGLBSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
(3S)-3-[2-[2-[(2R)-butan-2-yl]-4-chlorophenoxy]ethyl]piperidine
CID 86320429
3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
CID 62357045
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
3-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 56830445
3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
CID 56830459
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine (CID 86320969) is (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine is Clc1ccc(OCC[C@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine?
The InChIKey is LSJKZJIHVUYTMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2/t10-/m1/s1.
What are the key properties of (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine?
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine has a molecular weight of 274.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 86320969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).