[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone

C12H20N4O2 — CID 81267870

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,18)9-14-5-7-15(8-6-14)11(17)16-4-3-13-10-16/h3-4,10,18H,5-9H2,1-2H3
InChIKeyHCKYHHYEQWXVDA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.24
Rot. Bonds2

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone (PubChem CID 81267870) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
PubChem CID81267870
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,18)9-14-5-7-15(8-6-14)11(17)16-4-3-13-10-16/h3-4,10,18H,5-9H2,1-2H3
InChIKeyHCKYHHYEQWXVDA-UHFFFAOYSA-N
XLogP0.24
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone (CID 81267870) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone is CC(C)(O)CN1CCN(C(=O)n2ccnc2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is HCKYHHYEQWXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,18)9-14-5-7-15(8-6-14)11(17)16-4-3-13-10-16/h3-4,10,18H,5-9H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 252.32 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 81267870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).