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

C16H27N3 — CID 114596922

IUPACN-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H27N3/c1-5-17-10-15-7-6-8-18-16(15)19-11-12(2)9-13(3)14(19)4/h6-8,12-14,17H,5,9-11H2,1-4H3
InChIKeyZNNTUKBXYPQUJR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.06
Rot. Bonds4

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

N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 114596922) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID114596922
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H27N3/c1-5-17-10-15-7-6-8-18-16(15)19-11-12(2)9-13(3)14(19)4/h6-8,12-14,17H,5,9-11H2,1-4H3
InChIKeyZNNTUKBXYPQUJR-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 114596922) is N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CC(C)CC(C)C1C.
What is the InChIKey of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is ZNNTUKBXYPQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-17-10-15-7-6-8-18-16(15)19-11-12(2)9-13(3)14(19)4/h6-8,12-14,17H,5,9-11H2,1-4H3.
What are the key properties of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114596922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).