1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C13H22N2O2 — CID 102648450

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)N1CCNCC1
InChIInChI=1S/C13H22N2O2/c1-13(2,15-8-6-14-7-9-15)12(16)11-5-3-4-10-17-11/h5,14H,3-4,6-10H2,1-2H3
InChIKeyLRMLPVALQFPJQI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 102648450) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID102648450
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)N1CCNCC1
InChIInChI=1S/C13H22N2O2/c1-13(2,15-8-6-14-7-9-15)12(16)11-5-3-4-10-17-11/h5,14H,3-4,6-10H2,1-2H3
InChIKeyLRMLPVALQFPJQI-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
CID 71984349
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102646935
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 102646936
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
CID 102648310
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102648335
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102648336
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648415
1-(2,3-Dihydrofuran-5-yl)-2-piperazin-1-ylethanone
CID 102652434
1-(2,3-Dihydrofuran-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102652458
1-(2,3-Dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 102652576

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 102648450) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCCO1)N1CCNCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is LRMLPVALQFPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,15-8-6-14-7-9-15)12(16)11-5-3-4-10-17-11/h5,14H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 238.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 102648450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).