N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine

C16H26BrN3 — CID 168665692

IUPACN-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc(Br)ccc1N1CCC(C)CC1
InChIInChI=1S/C16H26BrN3/c1-4-19(5-2)12-14-15(6-7-16(17)18-14)20-10-8-13(3)9-11-20/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyBTIMXUSGOLUKHD-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.92
Rot. Bonds5

About N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine

N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine (PubChem CID 168665692) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
PubChem CID168665692
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc(Br)ccc1N1CCC(C)CC1
InChIInChI=1S/C16H26BrN3/c1-4-19(5-2)12-14-15(6-7-16(17)18-14)20-10-8-13(3)9-11-20/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyBTIMXUSGOLUKHD-UHFFFAOYSA-N
XLogP3.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine (CID 168665692) is N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine is CCN(CC)Cc1nc(Br)ccc1N1CCC(C)CC1.
What is the InChIKey of N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine?
The InChIKey is BTIMXUSGOLUKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-19(5-2)12-14-15(6-7-16(17)18-14)20-10-8-13(3)9-11-20/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine?
N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine has a molecular weight of 340.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 168665692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).