ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate

C17H32N2O6 — CID 68720526

IUPACethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)CC1.CCOC(=O)N1CCC(OC)CC1
InChIInChI=1S/C9H17NO3.C8H15NO3/c1-3-13-9(11)10-6-4-8(12-2)5-7-10;1-2-12-8(11)9-5-3-7(10)4-6-9/h8H,3-7H2,1-2H3;7,10H,2-6H2,1H3
InChIKeyDEIVJEUXZKGKMC-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.85
Rot. Bonds3

About ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate

ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate (PubChem CID 68720526) has the molecular formula C17H32N2O6 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate
PubChem CID68720526
Molecular FormulaC17H32N2O6
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC Nameethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)CC1.CCOC(=O)N1CCC(OC)CC1
InChIInChI=1S/C9H17NO3.C8H15NO3/c1-3-13-9(11)10-6-4-8(12-2)5-7-10;1-2-12-8(11)9-5-3-7(10)4-6-9/h8H,3-7H2,1-2H3;7,10H,2-6H2,1H3
InChIKeyDEIVJEUXZKGKMC-UHFFFAOYSA-N
XLogP1.85
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate (CID 68720526) is ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(O)CC1.CCOC(=O)N1CCC(OC)CC1.
What is the InChIKey of ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate?
The InChIKey is DEIVJEUXZKGKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C8H15NO3/c1-3-13-9(11)10-6-4-8(12-2)5-7-10;1-2-12-8(11)9-5-3-7(10)4-6-9/h8H,3-7H2,1-2H3;7,10H,2-6H2,1H3.
What are the key properties of ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate?
ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 68720526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).