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

C12H18BrN3 — CID 115741486

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(Br)cn2)CCC1N
InChIInChI=1S/C12H18BrN3/c1-9-7-16(5-4-12(9)14)8-11-3-2-10(13)6-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3
InChIKeyYSJDGCWQAJSPOM-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.01
Rot. Bonds2

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

1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 115741486) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
PubChem CID115741486
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(Br)cn2)CCC1N
InChIInChI=1S/C12H18BrN3/c1-9-7-16(5-4-12(9)14)8-11-3-2-10(13)6-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3
InChIKeyYSJDGCWQAJSPOM-UHFFFAOYSA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine (CID 115741486) is 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ccc(Br)cn2)CCC1N.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is YSJDGCWQAJSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-7-16(5-4-12(9)14)8-11-3-2-10(13)6-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine?
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 115741486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).