tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate

C17H25NO4 — CID 139491021

IUPACtert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1ccccc1C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-11-7-10-17(20,12-18)13-8-5-6-9-14(13)21-4/h5-6,8-9,20H,7,10-12H2,1-4H3
InChIKeyGMKVUIGCXNMUAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate

tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate (PubChem CID 139491021) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
PubChem CID139491021
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1ccccc1C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-11-7-10-17(20,12-18)13-8-5-6-9-14(13)21-4/h5-6,8-9,20H,7,10-12H2,1-4H3
InChIKeyGMKVUIGCXNMUAI-UHFFFAOYSA-N
XLogP2.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-hydroxy-3-(2-methoxyphenyl)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 4-hydroxy-4-[2-(trifluoromethoxy)phenyl]azepane-1-carboxylate
CID 90061321
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
tert-butyl 3-(2-fluoro-3-methoxyphenyl)-3-hydroxyazetidine-1-carboxylate
CID 82791697
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate
CID 134853372
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 51500861
tert-butyl 4-hydroxy-4-[2-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 69152676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate (CID 139491021) is tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate is COc1ccccc1C1(O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate?
The InChIKey is GMKVUIGCXNMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-11-7-10-17(20,12-18)13-8-5-6-9-14(13)21-4/h5-6,8-9,20H,7,10-12H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 139491021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).