1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine

C12H22N4 — CID 176935059

IUPAC1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(c2cnc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-11(2)3-4-15-5-7-16(8-6-15)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyOMAYZACDMKOEIO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.58
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine

1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine (PubChem CID 176935059) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine
PubChem CID176935059
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(c2cnc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-11(2)3-4-15-5-7-16(8-6-15)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyOMAYZACDMKOEIO-UHFFFAOYSA-N
XLogP1.58
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine (CID 176935059) is 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine is CC(C)CCN1CCN(c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine?
The InChIKey is OMAYZACDMKOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2)3-4-15-5-7-16(8-6-15)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine?
1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 176935059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).