4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride

C13H19BrClNO — CID 67000199

IUPAC4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1cc(Br)cc(CC2CCNCC2)c1.Cl
InChIInChI=1S/C13H18BrNO.ClH/c1-16-13-8-11(7-12(14)9-13)6-10-2-4-15-5-3-10;/h7-10,15H,2-6H2,1H3;1H
InChIKeyRBIGHFAGJXVKLR-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.42
Rot. Bonds3

About 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride

4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride (PubChem CID 67000199) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
PubChem CID67000199
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1cc(Br)cc(CC2CCNCC2)c1.Cl
InChIInChI=1S/C13H18BrNO.ClH/c1-16-13-8-11(7-12(14)9-13)6-10-2-4-15-5-3-10;/h7-10,15H,2-6H2,1H3;1H
InChIKeyRBIGHFAGJXVKLR-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
CID 117379596
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride (CID 67000199) is 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride is COc1cc(Br)cc(CC2CCNCC2)c1.Cl.
What is the InChIKey of 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride?
The InChIKey is RBIGHFAGJXVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO.ClH/c1-16-13-8-11(7-12(14)9-13)6-10-2-4-15-5-3-10;/h7-10,15H,2-6H2,1H3;1H.
What are the key properties of 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride?
4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride has a molecular weight of 320.66 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 67000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).