(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine

C8H14N4 — CID 96902399

IUPAC(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCNC[C@H]1c1ncc[nH]1
InChIInChI=1S/C8H14N4/c1-12-5-4-9-6-7(12)8-10-2-3-11-8/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyMBIVPEKQMUQASJ-ZETCQYMHSA-N
MW166.23 g/mol
LogP-0.01
Rot. Bonds1

About (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine

(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 96902399) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID96902399
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCNC[C@H]1c1ncc[nH]1
InChIInChI=1S/C8H14N4/c1-12-5-4-9-6-7(12)8-10-2-3-11-8/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyMBIVPEKQMUQASJ-ZETCQYMHSA-N
XLogP-0.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 82668736
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
CID 116881081
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
1-methyl-2-(5-methyl-1H-imidazol-4-yl)piperazine
CID 22412103
1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
CID 116881089
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
1-methyl-2-[5-(2-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881093
3-(1H-imidazol-2-yl)piperidine
CID 13281195
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
2-(1-methylpiperazin-2-yl)-4-pyridin-2-ylpyrimidine
CID 116901846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 96902399) is (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCNC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is MBIVPEKQMUQASJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-5-4-9-6-7(12)8-10-2-3-11-8/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 166.23 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 96902399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).