2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine

C17H28N6 — CID 128987589

IUPAC2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C17H28N6/c1-20(11-12-23-10-8-18-14-23)13-15-5-4-9-21(2)17(15)16-6-7-19-22(16)3/h6-8,10,14-15,17H,4-5,9,11-13H2,1-3H3/t15-,17+/m0/s1
InChIKeyCQCZGFIPQDDIQT-DOTOQJQBSA-N
MW316.45 g/mol
LogP1.63
Rot. Bonds6

About 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine

2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 128987589) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID128987589
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C17H28N6/c1-20(11-12-23-10-8-18-14-23)13-15-5-4-9-21(2)17(15)16-6-7-19-22(16)3/h6-8,10,14-15,17H,4-5,9,11-13H2,1-3H3/t15-,17+/m0/s1
InChIKeyCQCZGFIPQDDIQT-DOTOQJQBSA-N
XLogP1.63
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine (CID 128987589) is 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine is CN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is CQCZGFIPQDDIQT-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H28N6/c1-20(11-12-23-10-8-18-14-23)13-15-5-4-9-21(2)17(15)16-6-7-19-22(16)3/h6-8,10,14-15,17H,4-5,9,11-13H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine?
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 316.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 128987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).