tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate

C13H25NO4 — CID 68533155

IUPACtert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-7-5-13(9-15,6-8-14)10-17-4/h15H,5-10H2,1-4H3
InChIKeyMOMGPXHNANHSBY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate (PubChem CID 68533155) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate
PubChem CID68533155
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-7-5-13(9-15,6-8-14)10-17-4/h15H,5-10H2,1-4H3
InChIKeyMOMGPXHNANHSBY-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate (CID 68533155) is tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate is COCC1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate?
The InChIKey is MOMGPXHNANHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-7-5-13(9-15,6-8-14)10-17-4/h15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 68533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).