2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

C14H26N2O2 — CID 118683615

IUPAC2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15/h12H,4-11H2,1-3H3
InChIKeyYHIPDKQUPNNOLO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds1

About 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 118683615) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID118683615
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15/h12H,4-11H2,1-3H3
InChIKeyYHIPDKQUPNNOLO-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (CID 118683615) is 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is YHIPDKQUPNNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15/h12H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 118683615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).