oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate

C13H23NO3 — CID 59598916

IUPACoxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(2)11-3-6-14(7-4-11)13(15)17-12-5-8-16-9-12/h10-12H,3-9H2,1-2H3
InChIKeyIWYYBZOSQBSDHH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds2

About oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate

oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 59598916) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID59598916
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(2)11-3-6-14(7-4-11)13(15)17-12-5-8-16-9-12/h10-12H,3-9H2,1-2H3
InChIKeyIWYYBZOSQBSDHH-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate (CID 59598916) is oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OC2CCOC2)CC1.
What is the InChIKey of oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is IWYYBZOSQBSDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)11-3-6-14(7-4-11)13(15)17-12-5-8-16-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate?
oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 59598916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).