tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol

C19H38N2O6 — CID 161037215

IUPACtert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESCC(C)(C)OC(=O)N1CCC(CO)(CO)CC1.OCC1(CO)CCNCC1
InChIInChI=1S/C12H23NO4.C7H15NO2/c1-11(2,3)17-10(16)13-6-4-12(8-14,9-15)5-7-13;9-5-7(6-10)1-3-8-4-2-7/h14-15H,4-9H2,1-3H3;8-10H,1-6H2
InChIKeyUAKHSDZIZSLLBP-UHFFFAOYSA-N
MW390.52 g/mol
LogP0.33
Rot. Bonds4

About tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol

tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol (PubChem CID 161037215) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nametert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
PubChem CID161037215
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC Nametert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESCC(C)(C)OC(=O)N1CCC(CO)(CO)CC1.OCC1(CO)CCNCC1
InChIInChI=1S/C12H23NO4.C7H15NO2/c1-11(2,3)17-10(16)13-6-4-12(8-14,9-15)5-7-13;9-5-7(6-10)1-3-8-4-2-7/h14-15H,4-9H2,1-3H3;8-10H,1-6H2
InChIKeyUAKHSDZIZSLLBP-UHFFFAOYSA-N
XLogP0.33
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane
CID 158250448
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol?
The IUPAC name of tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol (CID 161037215) is tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol.
What is the SMILES notation for tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol?
The canonical SMILES for tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol is CC(C)(C)OC(=O)N1CCC(CO)(CO)CC1.OCC1(CO)CCNCC1.
What is the InChIKey of tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol?
The InChIKey is UAKHSDZIZSLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4.C7H15NO2/c1-11(2,3)17-10(16)13-6-4-12(8-14,9-15)5-7-13;9-5-7(6-10)1-3-8-4-2-7/h14-15H,4-9H2,1-3H3;8-10H,1-6H2.
What are the key properties of tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol?
tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol has a molecular weight of 390.52 g/mol, XLogP of 0.33, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 161037215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).