2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol

C13H24N4O — CID 66153268

IUPAC2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)n1cncc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H24N4O/c1-12(2)17-11-14-9-13(17)10-16-5-3-15(4-6-16)7-8-18/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyYCZHWKVTNBYQSY-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.57
Rot. Bonds5

About 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 66153268) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID66153268
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)n1cncc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H24N4O/c1-12(2)17-11-14-9-13(17)10-16-5-3-15(4-6-16)7-8-18/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyYCZHWKVTNBYQSY-UHFFFAOYSA-N
XLogP0.57
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 66153268) is 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol is CC(C)n1cncc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is YCZHWKVTNBYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2)17-11-14-9-13(17)10-16-5-3-15(4-6-16)7-8-18/h9,11-12,18H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 66153268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).