(2S)-2-(1-methylimidazol-2-yl)piperazine

C8H14N4 — CID 98010147

IUPAC(2S)-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1[C@@H]1CNCCN1
InChIInChI=1S/C8H14N4/c1-12-5-4-11-8(12)7-6-9-2-3-10-7/h4-5,7,9-10H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyQZFJHSAPLHASTC-ZETCQYMHSA-N
MW166.23 g/mol
LogP-0.35
Rot. Bonds1

About (2S)-2-(1-methylimidazol-2-yl)piperazine

(2S)-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 98010147) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (2S)-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(1-methylimidazol-2-yl)piperazine
PubChem CID98010147
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(2S)-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1[C@@H]1CNCCN1
InChIInChI=1S/C8H14N4/c1-12-5-4-11-8(12)7-6-9-2-3-10-7/h4-5,7,9-10H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyQZFJHSAPLHASTC-ZETCQYMHSA-N
XLogP-0.35
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
5-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779130
2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
CID 106779136
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
3-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779154
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
2-[4-(bromomethyl)pyrrolidin-3-yl]-1-methylimidazole
CID 130972067
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
2-cyclopentyl-1-methylimidazole
CID 83382106
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of (2S)-2-(1-methylimidazol-2-yl)piperazine (CID 98010147) is (2S)-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for (2S)-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for (2S)-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1[C@@H]1CNCCN1.
What is the InChIKey of (2S)-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is QZFJHSAPLHASTC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-5-4-11-8(12)7-6-9-2-3-10-7/h4-5,7,9-10H,2-3,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(1-methylimidazol-2-yl)piperazine?
(2S)-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 166.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 98010147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).