1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C15H26N2O2 — CID 62064233

IUPAC1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H26N2O2/c1-12(2)15(18)17-8-6-13(7-9-17)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,3,5-9,11H2,1-2H3
InChIKeyPCBPRKWGCBOPHT-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 62064233) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID62064233
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H26N2O2/c1-12(2)15(18)17-8-6-13(7-9-17)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,3,5-9,11H2,1-2H3
InChIKeyPCBPRKWGCBOPHT-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 62064233) is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PCBPRKWGCBOPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)15(18)17-8-6-13(7-9-17)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,3,5-9,11H2,1-2H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 62064233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).