(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one

C14H26N2O3 — CID 95325670

IUPAC(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one
SMILESC=CCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-10-19-12(2)13(17)16-8-6-15(7-9-16)11-14(3,4)18/h5,12,18H,1,6-11H2,2-4H3/t12-/m0/s1
InChIKeySBPFOUYBMPFAMP-LBPRGKRZSA-N
MW270.37 g/mol
LogP0.49
Rot. Bonds6

About (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one

(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one (PubChem CID 95325670) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one
PubChem CID95325670
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one
SMILESC=CCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-10-19-12(2)13(17)16-8-6-15(7-9-16)11-14(3,4)18/h5,12,18H,1,6-11H2,2-4H3/t12-/m0/s1
InChIKeySBPFOUYBMPFAMP-LBPRGKRZSA-N
XLogP0.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one?
The IUPAC name of (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one (CID 95325670) is (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one?
The canonical SMILES for (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one is C=CCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one?
The InChIKey is SBPFOUYBMPFAMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10-19-12(2)13(17)16-8-6-15(7-9-16)11-14(3,4)18/h5,12,18H,1,6-11H2,2-4H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one?
(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one is sourced from PubChem (CID 95325670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).