N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H26BrN3 — CID 62285762

IUPACN-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1N1CCCCC1C
InChIInChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-8-15(17)11-19-16(14)20-7-5-4-6-13(20)3/h8,11-13,18H,4-7,9-10H2,1-3H3
InChIKeyVFEFZZLKODZNQD-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.97
Rot. Bonds5

About N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62285762) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62285762
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1N1CCCCC1C
InChIInChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-8-15(17)11-19-16(14)20-7-5-4-6-13(20)3/h8,11-13,18H,4-7,9-10H2,1-3H3
InChIKeyVFEFZZLKODZNQD-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62285762) is N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Br)cnc1N1CCCCC1C.
What is the InChIKey of N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VFEFZZLKODZNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-8-15(17)11-19-16(14)20-7-5-4-6-13(20)3/h8,11-13,18H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62285762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).