(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine

C17H25N5 — CID 98757746

IUPAC(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
SMILESC[C@@H]1CN([C@H](C)c2cccnc2)CCN1Cc1nccn1C
InChIInChI=1S/C17H25N5/c1-14-12-22(15(2)16-5-4-6-18-11-16)10-9-21(14)13-17-19-7-8-20(17)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyVKKAAALIWZHMKL-HUUCEWRRSA-N
MW299.42 g/mol
LogP2.08
Rot. Bonds4

About (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine

(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine (PubChem CID 98757746) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
PubChem CID98757746
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
SMILESC[C@@H]1CN([C@H](C)c2cccnc2)CCN1Cc1nccn1C
InChIInChI=1S/C17H25N5/c1-14-12-22(15(2)16-5-4-6-18-11-16)10-9-21(14)13-17-19-7-8-20(17)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyVKKAAALIWZHMKL-HUUCEWRRSA-N
XLogP2.08
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine with MolForge

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Related Compounds

1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 100838841
1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 166223958
(2S)-1-[(2R)-2-ethyl-4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]propan-2-ol
CID 124852934
(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
1-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95311644
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine (CID 98757746) is (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine is C[C@@H]1CN([C@H](C)c2cccnc2)CCN1Cc1nccn1C.
What is the InChIKey of (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine?
The InChIKey is VKKAAALIWZHMKL-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-12-22(15(2)16-5-4-6-18-11-16)10-9-21(14)13-17-19-7-8-20(17)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine?
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine has a molecular weight of 299.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine is sourced from PubChem (CID 98757746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).