1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone

C11H18N2O2 — CID 102648310

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1=CCCCO1
InChIInChI=1S/C11H18N2O2/c14-10(11-3-1-2-8-15-11)9-13-6-4-12-5-7-13/h3,12H,1-2,4-9H2
InChIKeyCIGHBZZGEURLBG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.16
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone

1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone (PubChem CID 102648310) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
PubChem CID102648310
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1=CCCCO1
InChIInChI=1S/C11H18N2O2/c14-10(11-3-1-2-8-15-11)9-13-6-4-12-5-7-13/h3,12H,1-2,4-9H2
InChIKeyCIGHBZZGEURLBG-UHFFFAOYSA-N
XLogP0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone (CID 102648310) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone?
The InChIKey is CIGHBZZGEURLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10(11-3-1-2-8-15-11)9-13-6-4-12-5-7-13/h3,12H,1-2,4-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone has a molecular weight of 210.28 g/mol, XLogP of 0.16, 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-piperazin-1-ylethanone is sourced from PubChem (CID 102648310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).