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

C18H28N2O4 — CID 126847258

IUPACtert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
SMILESCOc1cccc(NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(21)20-10-8-18(22,9-11-20)13-19-14-6-5-7-15(12-14)23-4/h5-7,12,19,22H,8-11,13H2,1-4H3
InChIKeyQZNJDURMRBGSAK-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.87
Rot. Bonds4

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

tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate (PubChem CID 126847258) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
PubChem CID126847258
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
SMILESCOc1cccc(NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(21)20-10-8-18(22,9-11-20)13-19-14-6-5-7-15(12-14)23-4/h5-7,12,19,22H,8-11,13H2,1-4H3
InChIKeyQZNJDURMRBGSAK-UHFFFAOYSA-N
XLogP2.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 134497156
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 162725796
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 4-hydroxy-4-[2-(2-hydroxyethyl)-5-methoxyphenyl]piperidine-1-carboxylate
CID 170109914
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate (CID 126847258) is tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate is COc1cccc(NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate?
The InChIKey is QZNJDURMRBGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-17(2,3)24-16(21)20-10-8-18(22,9-11-20)13-19-14-6-5-7-15(12-14)23-4/h5-7,12,19,22H,8-11,13H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate has a molecular weight of 336.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 126847258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).