1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine

C14H28N4 — CID 71372790

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(CC2=NCCN2)CC1
InChIInChI=1S/C14H28N4/c1-2-3-4-5-8-17-9-11-18(12-10-17)13-14-15-6-7-16-14/h2-13H2,1H3,(H,15,16)
InChIKeyFFNBRCUQENRYKE-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.19
Rot. Bonds7

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine (PubChem CID 71372790) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine
PubChem CID71372790
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(CC2=NCCN2)CC1
InChIInChI=1S/C14H28N4/c1-2-3-4-5-8-17-9-11-18(12-10-17)13-14-15-6-7-16-14/h2-13H2,1H3,(H,15,16)
InChIKeyFFNBRCUQENRYKE-UHFFFAOYSA-N
XLogP1.19
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-tricosylpiperazine
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1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
ethane;1-octylpiperazine
CID 144711845
1-benzyl-4-heptylpiperazine
CID 22088087
diazanium;1-docosylpiperazine;dibromide
CID 157305429
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine (CID 71372790) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine is CCCCCCN1CCN(CC2=NCCN2)CC1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine?
The InChIKey is FFNBRCUQENRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-2-3-4-5-8-17-9-11-18(12-10-17)13-14-15-6-7-16-14/h2-13H2,1H3,(H,15,16).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine has a molecular weight of 252.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine is sourced from PubChem (CID 71372790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).