ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate

C16H31NO3 — CID 130278953

IUPACethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate
SMILESCCCC(C)(CCC)OC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C16H31NO3/c1-5-10-16(4,11-6-2)20-14-8-12-17(13-9-14)15(18)19-7-3/h14H,5-13H2,1-4H3
InChIKeySJEYRAUVWYYVRB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.98
Rot. Bonds7

About ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate

ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate (PubChem CID 130278953) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate
PubChem CID130278953
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate
SMILESCCCC(C)(CCC)OC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C16H31NO3/c1-5-10-16(4,11-6-2)20-14-8-12-17(13-9-14)15(18)19-7-3/h14H,5-13H2,1-4H3
InChIKeySJEYRAUVWYYVRB-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate (CID 130278953) is ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate is CCCC(C)(CCC)OC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate?
The InChIKey is SJEYRAUVWYYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-5-10-16(4,11-6-2)20-14-8-12-17(13-9-14)15(18)19-7-3/h14H,5-13H2,1-4H3.
What are the key properties of ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate?
ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate is sourced from PubChem (CID 130278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).