2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine

C17H28N6 — CID 128998321

IUPAC2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H28N6/c1-20(9-10-23-8-6-18-14-23)12-15-5-4-7-21(2)17(15)16-11-19-22(3)13-16/h6,8,11,13-15,17H,4-5,7,9-10,12H2,1-3H3/t15-,17+/m0/s1
InChIKeyWDFMMPJGMCZKPB-DOTOQJQBSA-N
MW316.45 g/mol
LogP1.63
Rot. Bonds6

About 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine

2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 128998321) 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-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID128998321
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H28N6/c1-20(9-10-23-8-6-18-14-23)12-15-5-4-7-21(2)17(15)16-11-19-22(3)13-16/h6,8,11,13-15,17H,4-5,7,9-10,12H2,1-3H3/t15-,17+/m0/s1
InChIKeyWDFMMPJGMCZKPB-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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Related Compounds

2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]pyridin-4-amine
CID 167963596
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
N-[3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]propyl]methanesulfonamide
CID 128998327
N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128992634
1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(2-imidazol-1-ylethyl)-1-methylurea
CID 128969467
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120905322
1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
CID 128992107
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120905321
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine (CID 128998321) is 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine is CN(CCn1ccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is WDFMMPJGMCZKPB-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H28N6/c1-20(9-10-23-8-6-18-14-23)12-15-5-4-7-21(2)17(15)16-11-19-22(3)13-16/h6,8,11,13-15,17H,4-5,7,9-10,12H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of 2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 128998321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).