1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol

C14H28N2O3 — CID 66472318

IUPAC1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,17)12-16-8-6-15(7-9-16)5-4-13-18-10-3-11-19-13/h13,17H,3-12H2,1-2H3
InChIKeyOTZYKBIPTKKMLE-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.53
Rot. Bonds5

About 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 66472318) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID66472318
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,17)12-16-8-6-15(7-9-16)5-4-13-18-10-3-11-19-13/h13,17H,3-12H2,1-2H3
InChIKeyOTZYKBIPTKKMLE-UHFFFAOYSA-N
XLogP0.53
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
CID 66472524
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
CID 66473510
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
CID 79189022
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
CID 66472120
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 66473733
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 111113367
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 66472318) is 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(CCC2OCCCO2)CC1.
What is the InChIKey of 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is OTZYKBIPTKKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,17)12-16-8-6-15(7-9-16)5-4-13-18-10-3-11-19-13/h13,17H,3-12H2,1-2H3.
What are the key properties of 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 66472318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).