tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol

C15H30N2O4 — CID 159847437

IUPACtert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol
SMILES[2H]C1([2H])CC(O)CC([2H])([2H])N1.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.C5H11NO/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h8,12H,4-7H2,1-3H3;5-7H,1-4H2/i6D2,7D2;3D2,4D2
InChIKeyNPMLAFCTRRQRJD-ACFXKSFKSA-N
MW310.46 g/mol
LogP1.11
Rot. Bonds

About tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol

tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol (PubChem CID 159847437) has the molecular formula C15H30N2O4 and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol
PubChem CID159847437
Molecular FormulaC15H30N2O4
Molecular Weight310.46 g/mol
Exact Mass310.27
IUPAC Nametert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol
SMILES[2H]C1([2H])CC(O)CC([2H])([2H])N1.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.C5H11NO/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h8,12H,4-7H2,1-3H3;5-7H,1-4H2/i6D2,7D2;3D2,4D2
InChIKeyNPMLAFCTRRQRJD-ACFXKSFKSA-N
XLogP1.11
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol 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

4-(Piperidin-4-yloxy)-piperidine-1-carboxylic acid t-butyl ester
CID 53407862
Tert-butyl 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 22490277
tert-butyl (3R,4R)-3-fluoro-4-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 156187219
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol;2,2,2-trifluoroacetaldehyde
CID 158528091
Tert-butyl 4,4-difluoro-3-hydroxypiperidine-1-carboxylate;4,4-difluoropiperidin-3-ol
CID 159409062
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol;methane;2,2,2-trifluoroacetic acid
CID 160887590
tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate
CID 9835508
Tert-butyl 4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 13094804
[1-(3-Hydroxy-propyl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
CID 17949126
4-(Butylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807181
Tert-butyl 4-propoxypiperidine-1-carboxylate;piperidine
CID 21989989
tert-butyl N-[1-(3-hydroxypropyl)piperidin-4-yl]carbamate
CID 22243834

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol?
The IUPAC name of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol (CID 159847437) is tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol.
What is the SMILES notation for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol?
The canonical SMILES for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol is [2H]C1([2H])CC(O)CC([2H])([2H])N1.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol?
The InChIKey is NPMLAFCTRRQRJD-ACFXKSFKSA-N. The full InChI is InChI=1S/C10H19NO3.C5H11NO/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h8,12H,4-7H2,1-3H3;5-7H,1-4H2/i6D2,7D2;3D2,4D2.
What are the key properties of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol?
tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol has a molecular weight of 310.46 g/mol, XLogP of 1.11, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;2,2,6,6-tetradeuteriopiperidin-4-ol is sourced from PubChem (CID 159847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).