tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate

C13H24N2O3 — CID 50986422

IUPACtert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-6-4-10(5-7-14)15-8-11(16)9-15/h10-11,16H,4-9H2,1-3H3
InChIKeySXDVUGNDCYIHNT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.06
Rot. Bonds1

About tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate (PubChem CID 50986422) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate
PubChem CID50986422
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-6-4-10(5-7-14)15-8-11(16)9-15/h10-11,16H,4-9H2,1-3H3
InChIKeySXDVUGNDCYIHNT-UHFFFAOYSA-N
XLogP1.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 68438748
Tert-butyl 3-hydroxy-2-methylpiperidine-1-carboxylate
CID 68438749
Tert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate
CID 68438751
tert-butyl N-(2-hydroxyethyl)-N-(piperidin-4-yl)carbamate
CID 125451291
Tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate hydrochloride
CID 154878760
tert-butyl 1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,7-diazaspiro[3.5]nonane-7-carboxylate
CID 99839717
tert-Butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate
CID 59605546
Tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 171547053
Tert-butyl 3-hydroxy-2-methylazetidine-1-carboxylate
CID 91663889
ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate
CID 166437542
tert-butyl 1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,7-diazaspiro[3.5]nonane-7-carboxylate
CID 99839718
Tert-butyl 1-(3,3,3-trifluoro-2-hydroxypropyl)-1,7-diazaspiro[3.5]nonane-7-carboxylate
CID 121518392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate (CID 50986422) is tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(O)C2)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate?
The InChIKey is SXDVUGNDCYIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-6-4-10(5-7-14)15-8-11(16)9-15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 50986422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).