1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine

C16H30N4O — CID 128983758

IUPAC1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCCOCC(C)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C16H30N4O/c1-5-21-11-13(2)18-9-14-7-6-8-19(3)16(14)15-10-17-12-20(15)4/h10,12-14,16,18H,5-9,11H2,1-4H3/t13?,14-,16+/m0/s1
InChIKeyLLJKFHHULAHONX-JGKCFBKVSA-N
MW294.44 g/mol
LogP1.82
Rot. Bonds7

About 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine

1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 128983758) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID128983758
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCCOCC(C)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C16H30N4O/c1-5-21-11-13(2)18-9-14-7-6-8-19(3)16(14)15-10-17-12-20(15)4/h10,12-14,16,18H,5-9,11H2,1-4H3/t13?,14-,16+/m0/s1
InChIKeyLLJKFHHULAHONX-JGKCFBKVSA-N
XLogP1.82
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989664
1,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrrole-2-carboxamide
CID 128985047
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 128985054
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 128989638
N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
CID 66117489
N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66130769
N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
CID 128981766
N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
CID 128989666
N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66116304
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 128977886

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine (CID 128983758) is 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine is CCOCC(C)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C.
What is the InChIKey of 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is LLJKFHHULAHONX-JGKCFBKVSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-21-11-13(2)18-9-14-7-6-8-19(3)16(14)15-10-17-12-20(15)4/h10,12-14,16,18H,5-9,11H2,1-4H3/t13?,14-,16+/m0/s1.
What are the key properties of 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine?
1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 128983758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).