tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate

C24H31NO4 — CID 171082503

IUPACtert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H31NO4/c1-24(2,3)29-23(26)25-14-12-21(13-15-25)27-18-20-10-7-11-22(16-20)28-17-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3
InChIKeyOVIZMJXITWCQDK-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.18
Rot. Bonds6

About tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate (PubChem CID 171082503) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
PubChem CID171082503
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Nametert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H31NO4/c1-24(2,3)29-23(26)25-14-12-21(13-15-25)27-18-20-10-7-11-22(16-20)28-17-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3
InChIKeyOVIZMJXITWCQDK-UHFFFAOYSA-N
XLogP5.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
CID 178043404
CID 178043404
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
CID 140923020
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl 4-[[(2S)-2-hydroxy-2-phenyl-2-(3-phenylmethoxyphenyl)acetyl]oxymethyl]piperidine-1-carboxylate
CID 122461753
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
tert-butyl 4-[[2-(3-phenylmethoxyphenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidine-1-carboxylate
CID 171083204
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 138481057
tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate
CID 54475582

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate (CID 171082503) is tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is OVIZMJXITWCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-24(2,3)29-23(26)25-14-12-21(13-15-25)27-18-20-10-7-11-22(16-20)28-17-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3.
What are the key properties of tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 171082503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).