1-(2-imidazol-1-ylethyl)-2-methylpiperazine

C10H18N4 — CID 62672995

IUPAC1-(2-imidazol-1-ylethyl)-2-methylpiperazine
SMILESCC1CNCCN1CCn1ccnc1
InChIInChI=1S/C10H18N4/c1-10-8-11-3-5-14(10)7-6-13-4-2-12-9-13/h2,4,9-11H,3,5-8H2,1H3
InChIKeyJHBHWGKQPPGKRQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.18
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-2-methylpiperazine

1-(2-imidazol-1-ylethyl)-2-methylpiperazine (PubChem CID 62672995) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-2-methylpiperazine
PubChem CID62672995
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(2-imidazol-1-ylethyl)-2-methylpiperazine
SMILESCC1CNCCN1CCn1ccnc1
InChIInChI=1S/C10H18N4/c1-10-8-11-3-5-14(10)7-6-13-4-2-12-9-13/h2,4,9-11H,3,5-8H2,1H3
InChIKeyJHBHWGKQPPGKRQ-UHFFFAOYSA-N
XLogP0.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
N,N-diethyl-2-[(2R)-2-methylpiperazin-1-yl]ethanamine
CID 82760939
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 82713574
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-2-methylpiperazine?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-2-methylpiperazine (CID 62672995) is 1-(2-imidazol-1-ylethyl)-2-methylpiperazine.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-2-methylpiperazine?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-2-methylpiperazine is CC1CNCCN1CCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-2-methylpiperazine?
The InChIKey is JHBHWGKQPPGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10-8-11-3-5-14(10)7-6-13-4-2-12-9-13/h2,4,9-11H,3,5-8H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-2-methylpiperazine?
1-(2-imidazol-1-ylethyl)-2-methylpiperazine has a molecular weight of 194.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-2-methylpiperazine is sourced from PubChem (CID 62672995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).