tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate

C17H26N2O4 — CID 162725796

IUPACtert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)11-13-5-6-14(22-4)12-18-13/h5-6,12,21H,7-11H2,1-4H3
InChIKeyHMMBOHXLYAGJMP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 162725796) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID162725796
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)11-13-5-6-14(22-4)12-18-13/h5-6,12,21H,7-11H2,1-4H3
InChIKeyHMMBOHXLYAGJMP-UHFFFAOYSA-N
XLogP2.39
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(5-methoxy-2-pyridinyl)methyl]-4-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 162725590
tert-butyl 7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 58438449
tert-butyl 4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 134497156
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(5-methoxy-2-pyridinyl)ethanone
CID 166244936
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258
tert-butyl 4-[(5-fluoro-3-pyridinyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 134496740
tert-butyl 3-(4-methoxyphenyl)-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950588
tert-butyl 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]piperazine-1-carboxylate
CID 118221132
tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417
tert-butyl 4-[[2-chloropropanoyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-hydroxypiperidine-1-carboxylate
CID 130202702
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate (CID 162725796) is tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate is COc1ccc(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is HMMBOHXLYAGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)11-13-5-6-14(22-4)12-18-13/h5-6,12,21H,7-11H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 162725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).