2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

C14H24N2O2 — CID 62065460

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CCC=CO1)C(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-12(14(17)16-8-4-2-5-9-16)15-11-13-7-3-6-10-18-13/h6,10,12-13,15H,2-5,7-9,11H2,1H3
InChIKeyJYAGWQIUWLPXGG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.67
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 62065460) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID62065460
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CCC=CO1)C(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-12(14(17)16-8-4-2-5-9-16)15-11-13-7-3-6-10-18-13/h6,10,12-13,15H,2-5,7-9,11H2,1H3
InChIKeyJYAGWQIUWLPXGG-UHFFFAOYSA-N
XLogP1.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (CID 62065460) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is CC(NCC1CCC=CO1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is JYAGWQIUWLPXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(14(17)16-8-4-2-5-9-16)15-11-13-7-3-6-10-18-13/h6,10,12-13,15H,2-5,7-9,11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 62065460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).