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

C15H28N2O3 — CID 22855751

IUPAC2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
SMILESCC1(C)O[C@H](CCN)C[C@H](CC(=O)N2CCCCC2)O1
InChIInChI=1S/C15H28N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-11,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyPSVCPLUEKMFRRF-CHWSQXEVSA-N
MW284.40 g/mol
LogP1.65
Rot. Bonds4

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

2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone (PubChem CID 22855751) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
PubChem CID22855751
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone
SMILESCC1(C)O[C@H](CCN)C[C@H](CC(=O)N2CCCCC2)O1
InChIInChI=1S/C15H28N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-11,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyPSVCPLUEKMFRRF-CHWSQXEVSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone (CID 22855751) is 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone is CC1(C)O[C@H](CCN)C[C@H](CC(=O)N2CCCCC2)O1.
What is the InChIKey of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is PSVCPLUEKMFRRF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-11,16H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone?
2-[(4R,6R)-6-(2-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, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 22855751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).