1-[(1-tert-butylimidazol-2-yl)methyl]piperazine

C12H22N4 — CID 174287365

IUPAC1-[(1-tert-butylimidazol-2-yl)methyl]piperazine
SMILESCC(C)(C)n1ccnc1CN1CCNCC1
InChIInChI=1S/C12H22N4/c1-12(2,3)16-9-6-14-11(16)10-15-7-4-13-5-8-15/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyYGPCVMGCGOLREX-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.04
Rot. Bonds2

About 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine

1-[(1-tert-butylimidazol-2-yl)methyl]piperazine (PubChem CID 174287365) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-tert-butylimidazol-2-yl)methyl]piperazine
PubChem CID174287365
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1-tert-butylimidazol-2-yl)methyl]piperazine
SMILESCC(C)(C)n1ccnc1CN1CCNCC1
InChIInChI=1S/C12H22N4/c1-12(2,3)16-9-6-14-11(16)10-15-7-4-13-5-8-15/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyYGPCVMGCGOLREX-UHFFFAOYSA-N
XLogP1.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537
3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62310658
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
CID 154893661
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-methyl-2-(piperazin-1-ylmethyl)imidazol-4-amine
CID 117187169
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
N-methyl-3-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 82507442
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine (CID 174287365) is 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine is CC(C)(C)n1ccnc1CN1CCNCC1.
What is the InChIKey of 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine?
The InChIKey is YGPCVMGCGOLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)16-9-6-14-11(16)10-15-7-4-13-5-8-15/h6,9,13H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine?
1-[(1-tert-butylimidazol-2-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 174287365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).