1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine

C15H22BrNO2 — CID 113235650

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C15H22BrNO2/c1-18-11-13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyOVZXLALKNZIKOT-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.32
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine

1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine (PubChem CID 113235650) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
PubChem CID113235650
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C15H22BrNO2/c1-18-11-13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyOVZXLALKNZIKOT-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
[2-methoxy-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 64599663
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649
1-[(3-bromo-4-methoxyphenyl)methyl]-3-tert-butyl-1,4-diazepane
CID 64870509

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine (CID 113235650) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine is COCC1CCCN(Cc2ccc(OC)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine?
The InChIKey is OVZXLALKNZIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-18-11-13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine?
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine has a molecular weight of 328.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 113235650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).