tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol

C24H33NO6 — CID 139830630

IUPACtert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(Oc3ccccc3)cc2)C(O)C1.CCO
InChIInChI=1S/C22H27NO5.C2H6O/c1-22(2,3)28-21(25)23-14-13-20(19(24)15-23)27-18-11-9-17(10-12-18)26-16-7-5-4-6-8-16;1-2-3/h4-12,19-20,24H,13-15H2,1-3H3;3H,2H2,1H3
InChIKeyDVMSXORHVJXDCX-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.23
Rot. Bonds4

About tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol

tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol (PubChem CID 139830630) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol
PubChem CID139830630
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Nametert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(Oc3ccccc3)cc2)C(O)C1.CCO
InChIInChI=1S/C22H27NO5.C2H6O/c1-22(2,3)28-21(25)23-14-13-20(19(24)15-23)27-18-11-9-17(10-12-18)26-16-7-5-4-6-8-16;1-2-3/h4-12,19-20,24H,13-15H2,1-3H3;3H,2H2,1H3
InChIKeyDVMSXORHVJXDCX-UHFFFAOYSA-N
XLogP4.23
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S,4S)-4-(3-cyanophenoxy)-3-hydroxypiperidine-1-carboxylate
CID 129278341
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl 4-benzoyloxy-3-methylpiperidine-1-carboxylate
CID 129278133
tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
CID 142395386
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl (3S,4R)-4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]-3-hydroxypiperidine-1-carboxylate
CID 126455519
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
tert-butyl (3R,4S)-3-fluoro-4-(4-methylsulfonylphenoxy)piperidine-1-carboxylate
CID 178170937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol?
The IUPAC name of tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol (CID 139830630) is tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol.
What is the SMILES notation for tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol?
The canonical SMILES for tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol is CC(C)(C)OC(=O)N1CCC(Oc2ccc(Oc3ccccc3)cc2)C(O)C1.CCO.
What is the InChIKey of tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol?
The InChIKey is DVMSXORHVJXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5.C2H6O/c1-22(2,3)28-21(25)23-14-13-20(19(24)15-23)27-18-11-9-17(10-12-18)26-16-7-5-4-6-8-16;1-2-3/h4-12,19-20,24H,13-15H2,1-3H3;3H,2H2,1H3.
What are the key properties of tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol?
tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol has a molecular weight of 431.53 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-4-(4-phenoxyphenoxy)piperidine-1-carboxylate;ethanol is sourced from PubChem (CID 139830630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).