cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone

C18H34N2O3 — CID 110908182

IUPACcyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
SMILESCC(C)(C)OCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h15-16,21H,4-14H2,1-3H3
InChIKeyJUJFZPODRIADEU-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.89
Rot. Bonds5

About cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone

cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone (PubChem CID 110908182) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
PubChem CID110908182
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Namecyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
SMILESCC(C)(C)OCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h15-16,21H,4-14H2,1-3H3
InChIKeyJUJFZPODRIADEU-UHFFFAOYSA-N
XLogP1.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 154748134
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 97210895
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone (CID 110908182) is cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone is CC(C)(C)OCC(O)CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone?
The InChIKey is JUJFZPODRIADEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h15-16,21H,4-14H2,1-3H3.
What are the key properties of cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone has a molecular weight of 326.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110908182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).