N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

C16H27N3 — CID 81246490

IUPACN-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCCC(CC)C1
InChIInChI=1S/C16H27N3/c1-4-14-7-6-8-19(12-14)16-9-13(3)18-11-15(16)10-17-5-2/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyMVPWZNGYEGUKNA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.13
Rot. Bonds5

About N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81246490) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81246490
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCCC(CC)C1
InChIInChI=1S/C16H27N3/c1-4-14-7-6-8-19(12-14)16-9-13(3)18-11-15(16)10-17-5-2/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyMVPWZNGYEGUKNA-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81246490) is N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1N1CCCC(CC)C1.
What is the InChIKey of N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is MVPWZNGYEGUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-14-7-6-8-19(12-14)16-9-13(3)18-11-15(16)10-17-5-2/h9,11,14,17H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81246490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).