oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate

C15H27NO3 — CID 83197371

IUPACoxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate
SMILESCC(C)(C(=O)OCC1CCOCC1)C1CCCNC1
InChIInChI=1S/C15H27NO3/c1-15(2,13-4-3-7-16-10-13)14(17)19-11-12-5-8-18-9-6-12/h12-13,16H,3-11H2,1-2H3
InChIKeyHUEUXFJKWOTKCC-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.98
Rot. Bonds4

About oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate

oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate (PubChem CID 83197371) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate
PubChem CID83197371
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameoxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate
SMILESCC(C)(C(=O)OCC1CCOCC1)C1CCCNC1
InChIInChI=1S/C15H27NO3/c1-15(2,13-4-3-7-16-10-13)14(17)19-11-12-5-8-18-9-6-12/h12-13,16H,3-11H2,1-2H3
InChIKeyHUEUXFJKWOTKCC-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
2-thiophen-2-ylethyl 2-methyl-2-piperidin-3-ylpropanoate
CID 83197142
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
oxan-4-ylmethyl pyrrolidine-2-carboxylate
CID 62383642
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate?
The IUPAC name of oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate (CID 83197371) is oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate.
What is the SMILES notation for oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate?
The canonical SMILES for oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate is CC(C)(C(=O)OCC1CCOCC1)C1CCCNC1.
What is the InChIKey of oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate?
The InChIKey is HUEUXFJKWOTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,13-4-3-7-16-10-13)14(17)19-11-12-5-8-18-9-6-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate?
oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate has a molecular weight of 269.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate is sourced from PubChem (CID 83197371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).