tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate

C13H23NO4 — CID 83488576

IUPACtert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
SMILESCC(O)CC1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C13H23NO4/c1-9(15)7-10-5-6-14(8-11(10)16)12(17)18-13(2,3)4/h9-10,15H,5-8H2,1-4H3
InChIKeyQBFZLGHWYUMIHL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate

tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate (PubChem CID 83488576) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
PubChem CID83488576
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
SMILESCC(O)CC1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C13H23NO4/c1-9(15)7-10-5-6-14(8-11(10)16)12(17)18-13(2,3)4/h9-10,15H,5-8H2,1-4H3
InChIKeyQBFZLGHWYUMIHL-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402
tert-butyl 3-(cyclopropylmethyl)-4-oxopyrrolidine-1-carboxylate
CID 178201142
tert-butyl 3-methylidene-4-(2-oxoethyl)piperidine-1-carboxylate
CID 11053745
tert-butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 18456551
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
tert-butyl 4-(2-methoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 46941587
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
CID 71567400
tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
CID 83488081
tert-butyl 4-(2-ethoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 138110908
tert-butyl 4-methyl-3-oxopiperidine-1-carboxylate;(1R)-1-phenylethanamine
CID 90781109

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate (CID 83488576) is tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate is CC(O)CC1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate?
The InChIKey is QBFZLGHWYUMIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)7-10-5-6-14(8-11(10)16)12(17)18-13(2,3)4/h9-10,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate?
tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 83488576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).