(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine

C13H17Br2NO — CID 86320905

IUPAC(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
SMILESBrc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C13H17Br2NO/c14-10-4-5-13(12(15)9-10)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m0/s1
InChIKeyHWYVIOVDMNSLNM-NSHDSACASA-N
MW363.09 g/mol
LogP4.12
Rot. Bonds4

About (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine

(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine (PubChem CID 86320905) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
PubChem CID86320905
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
SMILESBrc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C13H17Br2NO/c14-10-4-5-13(12(15)9-10)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m0/s1
InChIKeyHWYVIOVDMNSLNM-NSHDSACASA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(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
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
CID 56829706
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]methanol
CID 107743173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine (CID 86320905) is (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine is Brc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1.
What is the InChIKey of (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine?
The InChIKey is HWYVIOVDMNSLNM-NSHDSACASA-N. The full InChI is InChI=1S/C13H17Br2NO/c14-10-4-5-13(12(15)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-(2,4-dibromophenoxy)ethyl]piperidine?
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine has a molecular weight of 363.09 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine is sourced from PubChem (CID 86320905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).