3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride

C12H16Br2ClNO — CID 56831044

IUPAC3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
SMILESBrc1ccc(OCC2CCCNC2)c(Br)c1.Cl
InChIInChI=1S/C12H15Br2NO.ClH/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7-8H2;1H
InChIKeyBXBOXSFLOUFGGS-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.01
Rot. Bonds3

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

3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride (PubChem CID 56831044) has the molecular formula C12H16Br2ClNO and a molecular weight of 385.53 g/mol. Its IUPAC name is 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
PubChem CID56831044
Molecular FormulaC12H16Br2ClNO
Molecular Weight385.53 g/mol
Exact Mass382.93
IUPAC Name3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
SMILESBrc1ccc(OCC2CCCNC2)c(Br)c1.Cl
InChIInChI=1S/C12H15Br2NO.ClH/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7-8H2;1H
InChIKeyBXBOXSFLOUFGGS-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
(3R)-3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidine
CID 86322185
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
3-bromo-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 82801177
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride (CID 56831044) is 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride is Brc1ccc(OCC2CCCNC2)c(Br)c1.Cl.
What is the InChIKey of 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride?
The InChIKey is BXBOXSFLOUFGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO.ClH/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7-8H2;1H.
What are the key properties of 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride?
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride has a molecular weight of 385.53 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 56831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).