tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate

C12H21NO4 — CID 160765537

IUPACtert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate
SMILESCC(=O)C1CCC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(14)10-6-5-9(15)7-13(10)11(16)17-12(2,3)4/h9-10,15H,5-7H2,1-4H3
InChIKeyUJWOQIWTTICJNB-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate

tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate (PubChem CID 160765537) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate
PubChem CID160765537
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate
SMILESCC(=O)C1CCC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(14)10-6-5-9(15)7-13(10)11(16)17-12(2,3)4/h9-10,15H,5-7H2,1-4H3
InChIKeyUJWOQIWTTICJNB-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
CID 125477207
tert-butyl (4R)-2-acetyl-4-methylpyrrolidine-1-carboxylate
CID 134421285
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
tert-butyl (2S,4S)-2-acetyl-4-ethylpyrrolidine-1-carboxylate
CID 90244791
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167170201
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 139024027
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
(2S,5S)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 135393430

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate (CID 160765537) is tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate is CC(=O)C1CCC(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate?
The InChIKey is UJWOQIWTTICJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(14)10-6-5-9(15)7-13(10)11(16)17-12(2,3)4/h9-10,15H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate?
tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 160765537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).