tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate

C14H26N2O3 — CID 163284820

IUPACtert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
SMILESCC1(O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)15-7-5-11(6-8-15)16-9-14(4,18)10-16/h11,18H,5-10H2,1-4H3
InChIKeySCSFAIJBQMOWFS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.45
Rot. Bonds1

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

tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate (PubChem CID 163284820) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
PubChem CID163284820
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
SMILESCC1(O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)15-7-5-11(6-8-15)16-9-14(4,18)10-16/h11,18H,5-10H2,1-4H3
InChIKeySCSFAIJBQMOWFS-UHFFFAOYSA-N
XLogP1.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
CID 59605621
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate
CID 167801897
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate (CID 163284820) is tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate is CC1(O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate?
The InChIKey is SCSFAIJBQMOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)15-7-5-11(6-8-15)16-9-14(4,18)10-16/h11,18H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.45, 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-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 163284820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).