N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C18H31N3 — CID 63159924

IUPACN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CCC(C)(CC)CC1
InChIInChI=1S/C18H31N3/c1-6-18(5)8-10-21(11-9-18)17-16(13-19-7-2)14(3)12-15(4)20-17/h12,19H,6-11,13H2,1-5H3
InChIKeyMKPHTWQVJFVCME-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.82
Rot. Bonds5

About N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 63159924) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID63159924
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CCC(C)(CC)CC1
InChIInChI=1S/C18H31N3/c1-6-18(5)8-10-21(11-9-18)17-16(13-19-7-2)14(3)12-15(4)20-17/h12,19H,6-11,13H2,1-5H3
InChIKeyMKPHTWQVJFVCME-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 63159924) is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1N1CCC(C)(CC)CC1.
What is the InChIKey of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is MKPHTWQVJFVCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(5)8-10-21(11-9-18)17-16(13-19-7-2)14(3)12-15(4)20-17/h12,19H,6-11,13H2,1-5H3.
What are the key properties of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 289.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63159924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).