1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine

C16H25BrN2O2 — CID 115304079

IUPAC1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C16H25BrN2O2/c1-16(18-2)5-7-19(8-6-16)11-12-9-14(20-3)15(21-4)10-13(12)17/h9-10,18H,5-8,11H2,1-4H3
InChIKeyQLYQPNGEBVVCQF-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.04
Rot. Bonds5

About 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304079) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304079
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C16H25BrN2O2/c1-16(18-2)5-7-19(8-6-16)11-12-9-14(20-3)15(21-4)10-13(12)17/h9-10,18H,5-8,11H2,1-4H3
InChIKeyQLYQPNGEBVVCQF-UHFFFAOYSA-N
XLogP3.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305379
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 104666562
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304190
1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305374
5-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917244
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115304079) is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cc(OC)c(OC)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is QLYQPNGEBVVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-16(18-2)5-7-19(8-6-16)11-12-9-14(20-3)15(21-4)10-13(12)17/h9-10,18H,5-8,11H2,1-4H3.
What are the key properties of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 357.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).