1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine

C16H24BrNO2 — CID 171396283

IUPAC1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cccc(Br)c2OC(C)C)CC1
InChIInChI=1S/C16H24BrNO2/c1-12(2)20-16-13(5-4-6-15(16)17)11-18-9-7-14(19-3)8-10-18/h4-6,12,14H,7-11H2,1-3H3
InChIKeyUQLPRJFYVSFLMR-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.85
Rot. Bonds5

About 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine

1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine (PubChem CID 171396283) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
PubChem CID171396283
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cccc(Br)c2OC(C)C)CC1
InChIInChI=1S/C16H24BrNO2/c1-12(2)20-16-13(5-4-6-15(16)17)11-18-9-7-14(19-3)8-10-18/h4-6,12,14H,7-11H2,1-3H3
InChIKeyUQLPRJFYVSFLMR-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 171396270
1-[(3-bromo-2-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647805
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
4-bromo-3-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 113281282
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
CID 138034260
2-bromo-6-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 82981234
4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-[2-(4-methoxycyclohexyl)ethyl]piperidine
CID 23029026
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
2-[[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043452
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine?
The IUPAC name of 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine (CID 171396283) is 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine is COC1CCN(Cc2cccc(Br)c2OC(C)C)CC1.
What is the InChIKey of 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine?
The InChIKey is UQLPRJFYVSFLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(2)20-16-13(5-4-6-15(16)17)11-18-9-7-14(19-3)8-10-18/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine?
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine has a molecular weight of 342.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 171396283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).