tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate

C14H27NO4 — CID 150912932

IUPACtert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(OCCO)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10-8-12(18-7-6-16)9-11(2)15(10)13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11+,12?
InChIKeyLCJLFUAWGQVODF-FOSCPWQOSA-N
MW273.37 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate

tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 150912932) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
PubChem CID150912932
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(OCCO)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10-8-12(18-7-6-16)9-11(2)15(10)13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11+,12?
InChIKeyLCJLFUAWGQVODF-FOSCPWQOSA-N
XLogP2.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate
CID 167528440
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate
CID 162510275
tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 154945211
tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
CID 166542546
tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 57000258
tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate;trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
CID 158199472

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate (CID 150912932) is tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate is C[C@@H]1CC(OCCO)C[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is LCJLFUAWGQVODF-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10-8-12(18-7-6-16)9-11(2)15(10)13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11+,12?.
What are the key properties of tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 150912932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).