3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone

C13H21NO2 — CID 102648342

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)C2=CCCCO2)CCNCC1
InChIInChI=1S/C13H21NO2/c1-2-13(6-8-14-9-7-13)12(15)11-5-3-4-10-16-11/h5,14H,2-4,6-10H2,1H3
InChIKeyDYXPFYXJTVKVOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone (PubChem CID 102648342) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone
PubChem CID102648342
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)C2=CCCCO2)CCNCC1
InChIInChI=1S/C13H21NO2/c1-2-13(6-8-14-9-7-13)12(15)11-5-3-4-10-16-11/h5,14H,2-4,6-10H2,1H3
InChIKeyDYXPFYXJTVKVOY-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone (CID 102648342) is 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone is CCC1(C(=O)C2=CCCCO2)CCNCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone?
The InChIKey is DYXPFYXJTVKVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-13(6-8-14-9-7-13)12(15)11-5-3-4-10-16-11/h5,14H,2-4,6-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 102648342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).