methyl 2,3-di(piperidin-1-yl)propanoate

C14H26N2O2 — CID 13244262

IUPACmethyl 2,3-di(piperidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)13(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h13H,2-12H2,1H3
InChIKeyMUNYIKWMWCELMZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds4

About methyl 2,3-di(piperidin-1-yl)propanoate

methyl 2,3-di(piperidin-1-yl)propanoate (PubChem CID 13244262) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2,3-di(piperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-di(piperidin-1-yl)propanoate
PubChem CID13244262
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2,3-di(piperidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)13(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h13H,2-12H2,1H3
InChIKeyMUNYIKWMWCELMZ-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-di(piperidin-1-yl)propanoate?
The IUPAC name of methyl 2,3-di(piperidin-1-yl)propanoate (CID 13244262) is methyl 2,3-di(piperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2,3-di(piperidin-1-yl)propanoate?
The canonical SMILES for methyl 2,3-di(piperidin-1-yl)propanoate is COC(=O)C(CN1CCCCC1)N1CCCCC1.
What is the InChIKey of methyl 2,3-di(piperidin-1-yl)propanoate?
The InChIKey is MUNYIKWMWCELMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-14(17)13(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h13H,2-12H2,1H3.
What are the key properties of methyl 2,3-di(piperidin-1-yl)propanoate?
methyl 2,3-di(piperidin-1-yl)propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-di(piperidin-1-yl)propanoate is sourced from PubChem (CID 13244262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).