1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine

C16H25BrN2O — CID 82968737

IUPAC1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1N1CCC(COC)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(18-2)15-5-4-14(17)10-16(15)19-8-6-13(7-9-19)11-20-3/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyBAUOGHTVQPSWPX-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine

1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine (PubChem CID 82968737) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
PubChem CID82968737
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1N1CCC(COC)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(18-2)15-5-4-14(17)10-16(15)19-8-6-13(7-9-19)11-20-3/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyBAUOGHTVQPSWPX-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82968790
1-[4-bromo-2-(4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82972089
1-[4-bromo-2-(4-propan-2-ylazepan-1-yl)phenyl]-N-methylethanamine
CID 82956637
1-(4-bromo-2-thiomorpholin-4-ylphenyl)-N-methylethanamine
CID 82972103
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
2-[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]oxyethanol
CID 82955668
1-[4-bromo-2-(3,3,4-trimethylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968171
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970351
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine (CID 82968737) is 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1N1CCC(COC)CC1.
What is the InChIKey of 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine?
The InChIKey is BAUOGHTVQPSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(18-2)15-5-4-14(17)10-16(15)19-8-6-13(7-9-19)11-20-3/h4-5,10,12-13,18H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine?
1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine is sourced from PubChem (CID 82968737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).