tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate

C17H25NO4 — CID 59526855

IUPACtert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cccc(O)c2)CC1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-9-7-13(8-10-18)12-21-15-6-4-5-14(19)11-15/h4-6,11,13,19H,7-10,12H2,1-3H3
InChIKeyPTMMPHFKRUTOJK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate

tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 59526855) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
PubChem CID59526855
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cccc(O)c2)CC1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-9-7-13(8-10-18)12-21-15-6-4-5-14(19)11-15/h4-6,11,13,19H,7-10,12H2,1-3H3
InChIKeyPTMMPHFKRUTOJK-UHFFFAOYSA-N
XLogP3.42
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane
CID 144899236
tert-butyl 4-[(2-chloro-5-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624650
2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 175684084
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 4-[[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenoxy]methyl]piperidine-1-carboxylate
CID 168580839
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[[2-(3-ethylphenyl)pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
CID 161495290
tert-butyl 4-[[(2S)-2-hydroxy-2-phenyl-2-(3-phenylmethoxyphenyl)acetyl]oxymethyl]piperidine-1-carboxylate
CID 122461753
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate (CID 59526855) is tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2cccc(O)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is PTMMPHFKRUTOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-9-7-13(8-10-18)12-21-15-6-4-5-14(19)11-15/h4-6,11,13,19H,7-10,12H2,1-3H3.
What are the key properties of tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59526855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).