N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C16H26ClN3 — CID 114596915

IUPACN-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)CC(C)C2C)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-5-18-8-14-7-15(17)16(19-9-14)20-10-11(2)6-12(3)13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3
InChIKeyVZTAWVUPZONPDT-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.72
Rot. Bonds4

About N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 114596915) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID114596915
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)CC(C)C2C)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-5-18-8-14-7-15(17)16(19-9-14)20-10-11(2)6-12(3)13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3
InChIKeyVZTAWVUPZONPDT-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 114596915) is N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2CC(C)CC(C)C2C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is VZTAWVUPZONPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-5-18-8-14-7-15(17)16(19-9-14)20-10-11(2)6-12(3)13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 295.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114596915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).