ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate

C13H25NO3 — CID 143192695

IUPACethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC.CC1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C11H19NO3.C2H6/c1-9-2-5-12(6-3-9)11(13)15-10-4-7-14-8-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyMTCFHBHNEFFIBW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds1

About ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate

ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate (PubChem CID 143192695) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate
PubChem CID143192695
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC.CC1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C11H19NO3.C2H6/c1-9-2-5-12(6-3-9)11(13)15-10-4-7-14-8-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyMTCFHBHNEFFIBW-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate?
The IUPAC name of ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate (CID 143192695) is ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate is CC.CC1CCN(C(=O)OC2CCOC2)CC1.
What is the InChIKey of ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate?
The InChIKey is MTCFHBHNEFFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.C2H6/c1-9-2-5-12(6-3-9)11(13)15-10-4-7-14-8-10;1-2/h9-10H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate?
ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolan-3-yl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 143192695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).