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

C14H23NO2 — CID 102648492

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)C1CCCNC1
InChIInChI=1S/C14H23NO2/c1-14(2,11-6-5-8-15-10-11)13(16)12-7-3-4-9-17-12/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyXCQMBPFOAHQNCU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.28
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 102648492) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID102648492
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)C1CCCNC1
InChIInChI=1S/C14H23NO2/c1-14(2,11-6-5-8-15-10-11)13(16)12-7-3-4-9-17-12/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyXCQMBPFOAHQNCU-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 102648492) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)C1=CCCCO1)C1CCCNC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is XCQMBPFOAHQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,11-6-5-8-15-10-11)13(16)12-7-3-4-9-17-12/h7,11,15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 102648492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).