2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone

C13H24N2O2 — CID 143121293

IUPAC2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)(CO)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,10-16)15-7-5-14(6-8-15)12(17)9-11-3-4-11/h11,16H,3-10H2,1-2H3
InChIKeyHHERRBDAIIPZOF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds4

About 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone

2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone (PubChem CID 143121293) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
PubChem CID143121293
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)(CO)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,10-16)15-7-5-14(6-8-15)12(17)9-11-3-4-11/h11,16H,3-10H2,1-2H3
InChIKeyHHERRBDAIIPZOF-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazineethanol, 4-(2-propylvaleryl)-
CID 211193
2-(4-Cyclobutanecarbonylpiperazin-1-yl)ethan-1-ol
CID 43416224
cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110197493
[2-[4-(2-Cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite
CID 143121304
2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
CID 143121344
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-YL]-2,2-dimethylpropan-1-one hydrochloride
CID 71783035
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 71783036
1-[4-(2-Hydroxyethyl)piperazin-1-yl]pentan-1-one
CID 20469758
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24284660
(3-Hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 43416230
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43416325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone (CID 143121293) is 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone is CC(C)(CO)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HHERRBDAIIPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,10-16)15-7-5-14(6-8-15)12(17)9-11-3-4-11/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone?
2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143121293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).