2-methoxy-1,2-di(piperidin-1-yl)propan-1-one

C14H26N2O2 — CID 10800962

IUPAC2-methoxy-1,2-di(piperidin-1-yl)propan-1-one
SMILESCOC(C)(C(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(18-2,16-11-7-4-8-12-16)13(17)15-9-5-3-6-10-15/h3-12H2,1-2H3
InChIKeyZWBSEGAXLDDRPE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.85
Rot. Bonds3

About 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one

2-methoxy-1,2-di(piperidin-1-yl)propan-1-one (PubChem CID 10800962) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1,2-di(piperidin-1-yl)propan-1-one
PubChem CID10800962
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methoxy-1,2-di(piperidin-1-yl)propan-1-one
SMILESCOC(C)(C(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(18-2,16-11-7-4-8-12-16)13(17)15-9-5-3-6-10-15/h3-12H2,1-2H3
InChIKeyZWBSEGAXLDDRPE-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one (CID 10800962) is 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one is COC(C)(C(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one?
The InChIKey is ZWBSEGAXLDDRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(18-2,16-11-7-4-8-12-16)13(17)15-9-5-3-6-10-15/h3-12H2,1-2H3.
What are the key properties of 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one?
2-methoxy-1,2-di(piperidin-1-yl)propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2-di(piperidin-1-yl)propan-1-one is sourced from PubChem (CID 10800962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).