tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

C12H23NO5 — CID 11425480

IUPACtert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(15)13-7-6-12(16-4,17-5)9(14)8-13/h9,14H,6-8H2,1-5H3
InChIKeyNJRYBJQLRONERE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate (PubChem CID 11425480) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
PubChem CID11425480
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(15)13-7-6-12(16-4,17-5)9(14)8-13/h9,14H,6-8H2,1-5H3
InChIKeyNJRYBJQLRONERE-UHFFFAOYSA-N
XLogP0.98
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
4,4-Dimethoxy-1-methylpiperidin-3-ol
CID 13359910
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576
tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 1512577
Tert-butyl 4-(2-hydroxyethoxy)piperidine-1-carboxylate
CID 22030605
tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
CID 23447302
tert-butyl (3R,5S)-3,5-dihydroxypiperidine-1-carboxylate
CID 67987435
tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 68310116
tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate
CID 90213225

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate (CID 11425480) is tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate is COC1(OC)CCN(C(=O)OC(C)(C)C)CC1O.
What is the InChIKey of tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The InChIKey is NJRYBJQLRONERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-11(2,3)18-10(15)13-7-6-12(16-4,17-5)9(14)8-13/h9,14H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate is sourced from PubChem (CID 11425480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).