1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine

C18H22BrN3 — CID 133403074

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(c3cc(C)c(Br)cn3)CC2)c1
InChIInChI=1S/C18H22BrN3/c1-13-4-3-5-16(10-13)21-15-6-8-22(9-7-15)18-11-14(2)17(19)12-20-18/h3-5,10-12,15,21H,6-9H2,1-2H3
InChIKeyUYDZDUPOSBWACB-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.54
Rot. Bonds3

About 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine

1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 133403074) has the molecular formula C18H22BrN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
PubChem CID133403074
Molecular FormulaC18H22BrN3
Molecular Weight360.30 g/mol
Exact Mass359.10
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(c3cc(C)c(Br)cn3)CC2)c1
InChIInChI=1S/C18H22BrN3/c1-13-4-3-5-16(10-13)21-15-6-8-22(9-7-15)18-11-14(2)17(19)12-20-18/h3-5,10-12,15,21H,6-9H2,1-2H3
InChIKeyUYDZDUPOSBWACB-UHFFFAOYSA-N
XLogP4.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
CID 133448525
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine (CID 133403074) is 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine is Cc1cccc(NC2CCN(c3cc(C)c(Br)cn3)CC2)c1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is UYDZDUPOSBWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3/c1-13-4-3-5-16(10-13)21-15-6-8-22(9-7-15)18-11-14(2)17(19)12-20-18/h3-5,10-12,15,21H,6-9H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine?
1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 360.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 133403074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).