tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate

C14H23NO6 — CID 46201511

IUPACtert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1[C@H](OC(C)=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-9(16)19-11-7-6-8-15(12(11)20-10(2)17)13(18)21-14(3,4)5/h11-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyCXBHMFBILSUQGB-JHJMLUEUSA-N
MW301.34 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate

tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate (PubChem CID 46201511) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate
PubChem CID46201511
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nametert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1[C@H](OC(C)=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-9(16)19-11-7-6-8-15(12(11)20-10(2)17)13(18)21-14(3,4)5/h11-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyCXBHMFBILSUQGB-JHJMLUEUSA-N
XLogP1.84
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(R)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 31164575
(S)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 40429387
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}oxy)acetic acid
CID 42614544
Tert-butyl 3-(2-ethoxypropanoyloxy)piperidine-1-carboxylate
CID 71879212
Methyl 3-(acetyloxy)-2-hydroxypiperidine-1-carboxylate
CID 13757322
tert-butyl 3-Acetoxy-4,4-difluoropiperidine-1-carboxylate
CID 121592122
tert-butyl (3R)-3-acetyloxy-4,4-difluoropiperidine-1-carboxylate
CID 124298631
tert-butyl (3S)-3-acetyloxy-4,4-difluoropiperidine-1-carboxylate
CID 124298632
1-Acetyl-2,3,5-tris(acetyloxy)-4-piperidinyl acetate
CID 540194
Btgbmhvjhbxzlp-xjfoesagsa-
CID 21637045
Tert-butyl 2-acetyloxypiperidine-1-carboxylate
CID 10514377
3-Oxiranylmethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 11846329

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate (CID 46201511) is tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate is CC(=O)OC1[C@H](OC(C)=O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate?
The InChIKey is CXBHMFBILSUQGB-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H23NO6/c1-9(16)19-11-7-6-8-15(12(11)20-10(2)17)13(18)21-14(3,4)5/h11-12H,6-8H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate?
tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-2,3-diacetyloxypiperidine-1-carboxylate is sourced from PubChem (CID 46201511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).