2-methylpropyl piperidin-4-ylmethyl carbonate

C11H21NO3 — CID 79338526

IUPAC2-methylpropyl piperidin-4-ylmethyl carbonate
SMILESCC(C)COC(=O)OCC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-9(2)7-14-11(13)15-8-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyRSSHPXHLERQKBY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.80
Rot. Bonds4

About 2-methylpropyl piperidin-4-ylmethyl carbonate

2-methylpropyl piperidin-4-ylmethyl carbonate (PubChem CID 79338526) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methylpropyl piperidin-4-ylmethyl carbonate.

Molecular Properties

Compound Name2-methylpropyl piperidin-4-ylmethyl carbonate
PubChem CID79338526
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methylpropyl piperidin-4-ylmethyl carbonate
SMILESCC(C)COC(=O)OCC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-9(2)7-14-11(13)15-8-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyRSSHPXHLERQKBY-UHFFFAOYSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl piperidin-4-ylmethyl carbonate?
The IUPAC name of 2-methylpropyl piperidin-4-ylmethyl carbonate (CID 79338526) is 2-methylpropyl piperidin-4-ylmethyl carbonate.
What is the SMILES notation for 2-methylpropyl piperidin-4-ylmethyl carbonate?
The canonical SMILES for 2-methylpropyl piperidin-4-ylmethyl carbonate is CC(C)COC(=O)OCC1CCNCC1.
What is the InChIKey of 2-methylpropyl piperidin-4-ylmethyl carbonate?
The InChIKey is RSSHPXHLERQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)7-14-11(13)15-8-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methylpropyl piperidin-4-ylmethyl carbonate?
2-methylpropyl piperidin-4-ylmethyl carbonate has a molecular weight of 215.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl piperidin-4-ylmethyl carbonate is sourced from PubChem (CID 79338526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).