tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate

C23H29NO4 — CID 67313124

IUPACtert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C23H29NO4/c1-23(2,3)28-22(25)24-15-13-19(14-16-24)27-21-12-8-7-11-20(21)26-17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3
InChIKeySQXUOIFFYJZOOL-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.04
Rot. Bonds5

About tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate

tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate (PubChem CID 67313124) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
PubChem CID67313124
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nametert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C23H29NO4/c1-23(2,3)28-22(25)24-15-13-19(14-16-24)27-21-12-8-7-11-20(21)26-17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3
InChIKeySQXUOIFFYJZOOL-UHFFFAOYSA-N
XLogP5.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethoxy-[4-[[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenoxy]methyl]phenyl]-oxophosphanium
CID 134359838
tert-butyl 4-[hydroxy-(2-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 134346134
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 3-[2-amino-6-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyanilino]azepane-1-carboxylate
CID 175299081
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
tert-butyl 4-[(5-phenylmethoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 171082980
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate (CID 67313124) is tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate?
The InChIKey is SQXUOIFFYJZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-23(2,3)28-22(25)24-15-13-19(14-16-24)27-21-12-8-7-11-20(21)26-17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 67313124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).