propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate

C12H23NO2 — CID 58689097

IUPACpropan-2-yl 3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)11-6-5-7-13(8-11)12(14)15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyLBYXEJISJQOXGV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.90
Rot. Bonds2

About propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate

propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate (PubChem CID 58689097) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-propan-2-ylpiperidine-1-carboxylate
PubChem CID58689097
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl 3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)11-6-5-7-13(8-11)12(14)15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyLBYXEJISJQOXGV-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate (CID 58689097) is propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate is CC(C)OC(=O)N1CCCC(C(C)C)C1.
What is the InChIKey of propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is LBYXEJISJQOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)11-6-5-7-13(8-11)12(14)15-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate?
propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 58689097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).