1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine

C16H30N4 — CID 64839360

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CCn2ccnc2C)C(C(C)C)CN1
InChIInChI=1S/C16H30N4/c1-5-6-15-12-20(16(11-18-15)13(2)3)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3
InChIKeyVLNLJEFRFIANQM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds6

About 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine

1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine (PubChem CID 64839360) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
PubChem CID64839360
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CCn2ccnc2C)C(C(C)C)CN1
InChIInChI=1S/C16H30N4/c1-5-6-15-12-20(16(11-18-15)13(2)3)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3
InChIKeyVLNLJEFRFIANQM-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64841937
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 82748990
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
2-ethyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64847055
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
5-cyclopropyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-2-propylpiperazine
CID 64876913
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
CID 103016284
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
CID 64876301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine (CID 64839360) is 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine is CCCC1CN(CCn2ccnc2C)C(C(C)C)CN1.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine?
The InChIKey is VLNLJEFRFIANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-6-15-12-20(16(11-18-15)13(2)3)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine?
1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64839360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).