tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate

C18H25NO6 — CID 68532897

IUPACtert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-7-13(8-10-19)24-15-11-12(20)5-6-14(15)16(21)23-4/h5-6,11,13,20H,7-10H2,1-4H3
InChIKeyZFVCXOJKOKXCAA-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate

tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate (PubChem CID 68532897) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
PubChem CID68532897
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Nametert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-7-13(8-10-19)24-15-11-12(20)5-6-14(15)16(21)23-4/h5-6,11,13,20H,7-10H2,1-4H3
InChIKeyZFVCXOJKOKXCAA-UHFFFAOYSA-N
XLogP2.96
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-ethylsulfonyl-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 68984474
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl (3S)-3-(2-methoxycarbothioyl-5-methylphenoxy)pyrrolidine-1-carboxylate
CID 91353543
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-indole-2-carboxylate
CID 53487119
tert-butyl 4-[3-methoxycarbonyl-2-(5-methyl-1,3-thiazol-2-yl)phenoxy]piperidine-1-carboxylate
CID 172774319
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
5-chloro-2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 59564264
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 91306872
tert-butyl (3S)-3-(2-bromo-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 122634557
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate (CID 68532897) is tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate is COC(=O)c1ccc(O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The InChIKey is ZFVCXOJKOKXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-7-13(8-10-19)24-15-11-12(20)5-6-14(15)16(21)23-4/h5-6,11,13,20H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 68532897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).