1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine

C12H18BrN3 — CID 114869588

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(N)C(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-6-10(8)13)16-4-3-11(14)9(2)7-16/h5-6,9,11H,3-4,7,14H2,1-2H3
InChIKeyMBDAYSOVRHGECW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.33
Rot. Bonds1

About 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine

1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine (PubChem CID 114869588) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
PubChem CID114869588
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(N)C(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-6-10(8)13)16-4-3-11(14)9(2)7-16/h5-6,9,11H,3-4,7,14H2,1-2H3
InChIKeyMBDAYSOVRHGECW-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine (CID 114869588) is 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine is Cc1cc(N2CCC(N)C(C)C2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine?
The InChIKey is MBDAYSOVRHGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-5-12(15-6-10(8)13)16-4-3-11(14)9(2)7-16/h5-6,9,11H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine?
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.33, 1 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)-3-methylpiperidin-4-amine is sourced from PubChem (CID 114869588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).