(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine

C12H22N4 — CID 106553921

IUPAC(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
SMILESCCCCn1ccnc1N1CCN[C@H](C)C1
InChIInChI=1S/C12H22N4/c1-3-4-7-15-8-6-14-12(15)16-9-5-13-11(2)10-16/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyGJLXUMLSUODSEI-LLVKDONJSA-N
MW222.34 g/mol
LogP1.48
Rot. Bonds4

About (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine

(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine (PubChem CID 106553921) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
PubChem CID106553921
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
SMILESCCCCn1ccnc1N1CCN[C@H](C)C1
InChIInChI=1S/C12H22N4/c1-3-4-7-15-8-6-14-12(15)16-9-5-13-11(2)10-16/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyGJLXUMLSUODSEI-LLVKDONJSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-butylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106552991
1-(1-cyclopropylimidazol-2-yl)-3-methylpiperazine
CID 106552943
1-(1-propylimidazol-2-yl)-1,4-diazepane
CID 63974169
N-methyl-1-(1-propylimidazol-2-yl)pyrrolidin-3-amine
CID 106553421
1-butyl-2-pyrrol-1-ylimidazole
CID 174873943
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
(4aS,7aS)-6-[1-(3-ethoxypropyl)imidazol-2-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553811
1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552533
3-ethyl-1-[1-(3-methoxypropyl)imidazol-2-yl]piperidin-4-amine
CID 106553250
5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553000

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine (CID 106553921) is (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine is CCCCn1ccnc1N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine?
The InChIKey is GJLXUMLSUODSEI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-7-15-8-6-14-12(15)16-9-5-13-11(2)10-16/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine?
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine has a molecular weight of 222.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine is sourced from PubChem (CID 106553921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).