1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

C14H28N2O3 — CID 56781880

IUPAC1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H28N2O3/c1-12(2)19-10-5-13(17)16-8-6-15(7-9-16)11-14(3,4)18/h12,18H,5-11H2,1-4H3
InChIKeyYMEVGVUDGYAGHI-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.72
Rot. Bonds6

About 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 56781880) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID56781880
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H28N2O3/c1-12(2)19-10-5-13(17)16-8-6-15(7-9-16)11-14(3,4)18/h12,18H,5-11H2,1-4H3
InChIKeyYMEVGVUDGYAGHI-UHFFFAOYSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (CID 56781880) is 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is YMEVGVUDGYAGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(2)19-10-5-13(17)16-8-6-15(7-9-16)11-14(3,4)18/h12,18H,5-11H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 56781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).