(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate

C15H27NO3 — CID 114430100

IUPAC(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CC(C)OC(C)C2)C1
InChIInChI=1S/C15H27NO3/c1-4-12-5-6-16-14(9-12)15(17)19-13-7-10(2)18-11(3)8-13/h10-14,16H,4-9H2,1-3H3
InChIKeyWRPWFJNXWDAXQV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.26
Rot. Bonds3

About (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate

(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate (PubChem CID 114430100) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate
PubChem CID114430100
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CC(C)OC(C)C2)C1
InChIInChI=1S/C15H27NO3/c1-4-12-5-6-16-14(9-12)15(17)19-13-7-10(2)18-11(3)8-13/h10-14,16H,4-9H2,1-3H3
InChIKeyWRPWFJNXWDAXQV-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate?
The IUPAC name of (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate (CID 114430100) is (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate.
What is the SMILES notation for (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate?
The canonical SMILES for (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate is CCC1CCNC(C(=O)OC2CC(C)OC(C)C2)C1.
What is the InChIKey of (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate?
The InChIKey is WRPWFJNXWDAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-12-5-6-16-14(9-12)15(17)19-13-7-10(2)18-11(3)8-13/h10-14,16H,4-9H2,1-3H3.
What are the key properties of (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate?
(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate is sourced from PubChem (CID 114430100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).