3-[(3-bromophenyl)methoxy]-3-methylpiperidine

C13H18BrNO — CID 107385756

IUPAC3-[(3-bromophenyl)methoxy]-3-methylpiperidine
SMILESCC1(OCc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C13H18BrNO/c1-13(6-3-7-15-10-13)16-9-11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyZFFYJLAETYRAOW-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.11
Rot. Bonds3

About 3-[(3-bromophenyl)methoxy]-3-methylpiperidine

3-[(3-bromophenyl)methoxy]-3-methylpiperidine (PubChem CID 107385756) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-3-methylpiperidine
PubChem CID107385756
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-[(3-bromophenyl)methoxy]-3-methylpiperidine
SMILESCC1(OCc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C13H18BrNO/c1-13(6-3-7-15-10-13)16-9-11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyZFFYJLAETYRAOW-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(naphthalen-1-ylmethoxy)piperidine
CID 107385701
3-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 107385713
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 82831973
3-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385847
3-[2-(3-methylpiperidin-3-yl)oxyethyl]pyridine
CID 107385730
3-[(3-bromophenyl)methyl]-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138181
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
CID 115052324
3-fluoro-4-[(3-methylpiperidin-3-yl)oxymethyl]benzonitrile
CID 107385655
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-3-methylpiperidine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-3-methylpiperidine (CID 107385756) is 3-[(3-bromophenyl)methoxy]-3-methylpiperidine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-3-methylpiperidine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-3-methylpiperidine is CC1(OCc2cccc(Br)c2)CCCNC1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-3-methylpiperidine?
The InChIKey is ZFFYJLAETYRAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(6-3-7-15-10-13)16-9-11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-3-methylpiperidine?
3-[(3-bromophenyl)methoxy]-3-methylpiperidine has a molecular weight of 284.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-3-methylpiperidine is sourced from PubChem (CID 107385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).