1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine

C10H18N4 — CID 3817838

IUPAC1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
SMILESCc1[nH]cnc1CN1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9-10(12-8-11-9)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHRVHJPLBJOEBPP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.47
Rot. Bonds2

About 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine (PubChem CID 3817838) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
PubChem CID3817838
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
SMILESCc1[nH]cnc1CN1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9-10(12-8-11-9)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHRVHJPLBJOEBPP-UHFFFAOYSA-N
XLogP0.47
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
1-Ethyladenine
CID 135398554
3-Butyladenine
CID 135435069
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939021
N3-Metyladenine
CID 440553
6,7-dihydro-3H-purine-2,6-diamine
CID 11030015
1-Methyl-9H-purin-6-ylamine
CID 13908780
3H-Purin-6-amine, 3-pentyl-
CID 135435070
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
3-Hexylpurin-6-amine
CID 135435071
3-Isopentylpurin-6-amine
CID 135435072

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine (CID 3817838) is 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine is Cc1[nH]cnc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine?
The InChIKey is HRVHJPLBJOEBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-10(12-8-11-9)7-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine?
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 3817838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).