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-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclopropyl-1-(1,2,5-dithiazepan-5-yl)ethanone
CID 130723803
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 111113460
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987

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).