2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone

C15H28N2O3 — CID 19370845

IUPAC2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CC(CC(=O)N2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C15H28N2O3/c1-11(16)13-9-12(19-15(2,3)20-13)10-14(18)17-7-5-4-6-8-17/h11-13H,4-10,16H2,1-3H3
InChIKeyWKZQFDLHQAVANK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.65
Rot. Bonds3

About 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone

2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone (PubChem CID 19370845) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
PubChem CID19370845
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CC(CC(=O)N2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C15H28N2O3/c1-11(16)13-9-12(19-15(2,3)20-13)10-14(18)17-7-5-4-6-8-17/h11-13H,4-10,16H2,1-3H3
InChIKeyWKZQFDLHQAVANK-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone (CID 19370845) is 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone is CC(N)C1CC(CC(=O)N2CCCCC2)OC(C)(C)O1.
What is the InChIKey of 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is WKZQFDLHQAVANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(16)13-9-12(19-15(2,3)20-13)10-14(18)17-7-5-4-6-8-17/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 284.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 19370845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).