3-(2,4-dibromophenoxy)piperidine;hydrochloride

C11H14Br2ClNO — CID 53409178

IUPAC3-(2,4-dibromophenoxy)piperidine;hydrochloride
SMILESBrc1ccc(OC2CCCNC2)c(Br)c1.Cl
InChIInChI=1S/C11H13Br2NO.ClH/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9;/h3-4,6,9,14H,1-2,5,7H2;1H
InChIKeyMQQZFTIBINLLIX-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.76
Rot. Bonds2

About 3-(2,4-dibromophenoxy)piperidine;hydrochloride

3-(2,4-dibromophenoxy)piperidine;hydrochloride (PubChem CID 53409178) has the molecular formula C11H14Br2ClNO and a molecular weight of 371.50 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)piperidine;hydrochloride
PubChem CID53409178
Molecular FormulaC11H14Br2ClNO
Molecular Weight371.50 g/mol
Exact Mass368.91
IUPAC Name3-(2,4-dibromophenoxy)piperidine;hydrochloride
SMILESBrc1ccc(OC2CCCNC2)c(Br)c1.Cl
InChIInChI=1S/C11H13Br2NO.ClH/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9;/h3-4,6,9,14H,1-2,5,7H2;1H
InChIKeyMQQZFTIBINLLIX-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384
3-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine;hydrochloride
CID 56830692
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)piperidine;hydrochloride?
The IUPAC name of 3-(2,4-dibromophenoxy)piperidine;hydrochloride (CID 53409178) is 3-(2,4-dibromophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 3-(2,4-dibromophenoxy)piperidine;hydrochloride?
The canonical SMILES for 3-(2,4-dibromophenoxy)piperidine;hydrochloride is Brc1ccc(OC2CCCNC2)c(Br)c1.Cl.
What is the InChIKey of 3-(2,4-dibromophenoxy)piperidine;hydrochloride?
The InChIKey is MQQZFTIBINLLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO.ClH/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9;/h3-4,6,9,14H,1-2,5,7H2;1H.
What are the key properties of 3-(2,4-dibromophenoxy)piperidine;hydrochloride?
3-(2,4-dibromophenoxy)piperidine;hydrochloride has a molecular weight of 371.50 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 53409178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).