[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine

C12H18BrN3 — CID 114961588

IUPAC[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ccc(Br)cn2)CC1CN
InChIInChI=1S/C12H18BrN3/c1-9-4-5-16(8-10(9)6-14)12-3-2-11(13)7-15-12/h2-3,7,9-10H,4-6,8,14H2,1H3
InChIKeyLVYHUVJKNOJFBR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.27
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine

[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961588) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961588
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ccc(Br)cn2)CC1CN
InChIInChI=1S/C12H18BrN3/c1-9-4-5-16(8-10(9)6-14)12-3-2-11(13)7-15-12/h2-3,7,9-10H,4-6,8,14H2,1H3
InChIKeyLVYHUVJKNOJFBR-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine (CID 114961588) is [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(c2ccc(Br)cn2)CC1CN.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is LVYHUVJKNOJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-4-5-16(8-10(9)6-14)12-3-2-11(13)7-15-12/h2-3,7,9-10H,4-6,8,14H2,1H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine?
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.27, 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)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).