3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine

C14H20BrNO2 — CID 62341089

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
SMILESCOc1ccc(Br)cc1COCC1CCCNC1
InChIInChI=1S/C14H20BrNO2/c1-17-14-5-4-13(15)7-12(14)10-18-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-10H2,1H3
InChIKeyQJQOSTWYTRZADN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.97
Rot. Bonds5

About 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine

3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine (PubChem CID 62341089) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
PubChem CID62341089
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
SMILESCOc1ccc(Br)cc1COCC1CCCNC1
InChIInChI=1S/C14H20BrNO2/c1-17-14-5-4-13(15)7-12(14)10-18-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-10H2,1H3
InChIKeyQJQOSTWYTRZADN-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210863
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine (CID 62341089) is 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine is COc1ccc(Br)cc1COCC1CCCNC1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine?
The InChIKey is QJQOSTWYTRZADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-14-5-4-13(15)7-12(14)10-18-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-10H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine?
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine has a molecular weight of 314.22 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine is sourced from PubChem (CID 62341089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).