(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine

C13H17BrClNO — CID 86321988

IUPAC(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine
SMILESCc1cc(O[C@@H]2CCCNC2)c(Br)c(C)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-8-6-11(12(14)9(2)13(8)15)17-10-4-3-5-16-7-10/h6,10,16H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyBYPOTIALBSDIMO-SNVBAGLBSA-N
MW318.64 g/mol
LogP3.85
Rot. Bonds2

About (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine

(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine (PubChem CID 86321988) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine
PubChem CID86321988
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine
SMILESCc1cc(O[C@@H]2CCCNC2)c(Br)c(C)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-8-6-11(12(14)9(2)13(8)15)17-10-4-3-5-16-7-10/h6,10,16H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyBYPOTIALBSDIMO-SNVBAGLBSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
(3R)-3-[(2-bromo-4-chloro-3,5-dimethylphenoxy)methyl]pyrrolidine
CID 86320027
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine?
The IUPAC name of (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine (CID 86321988) is (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine.
What is the SMILES notation for (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine?
The canonical SMILES for (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine is Cc1cc(O[C@@H]2CCCNC2)c(Br)c(C)c1Cl.
What is the InChIKey of (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine?
The InChIKey is BYPOTIALBSDIMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-8-6-11(12(14)9(2)13(8)15)17-10-4-3-5-16-7-10/h6,10,16H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine?
(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine has a molecular weight of 318.64 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine is sourced from PubChem (CID 86321988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).