tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate

C12H23NO4 — CID 23447302

IUPACtert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-5-12(9-14,16-4)6-8-13/h14H,5-9H2,1-4H3
InChIKeyAXXVKHFKOZNEOR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.39
Rot. Bonds2

About tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate (PubChem CID 23447302) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
PubChem CID23447302
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-5-12(9-14,16-4)6-8-13/h14H,5-9H2,1-4H3
InChIKeyAXXVKHFKOZNEOR-UHFFFAOYSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate (CID 23447302) is tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate is COC1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate?
The InChIKey is AXXVKHFKOZNEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-5-12(9-14,16-4)6-8-13/h14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 1.39, 2 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-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 23447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).