tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate

C22H33NO3 — CID 58128548

IUPACtert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CC2COCc2ccccc2)CC1
InChIInChI=1S/C22H33NO3/c1-22(2,3)26-21(24)23-11-9-17(10-12-23)13-19-14-20(19)16-25-15-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3
InChIKeyGGBPPDSRQTVLLV-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.88
Rot. Bonds6

About tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate (PubChem CID 58128548) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
PubChem CID58128548
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Nametert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CC2COCc2ccccc2)CC1
InChIInChI=1S/C22H33NO3/c1-22(2,3)26-21(24)23-11-9-17(10-12-23)13-19-14-20(19)16-25-15-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3
InChIKeyGGBPPDSRQTVLLV-UHFFFAOYSA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(phenylmethoxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128527
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[[(1R,2S)-2-(hydroxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
CID 58128606
tert-butyl 4-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
CID 58128492
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl (3S)-3-[[(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 157039774
tert-butyl 4-[[3-(chloromethyl)phenyl]methoxymethyl]piperidine-1-carboxylate
CID 126758413
tert-butyl 4-[4-(phenylmethoxyamino)butyl]piperidine-1-carboxylate
CID 2784683
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-(1,1-difluoro-4-phenylmethoxybutyl)piperidine-1-carboxylate
CID 154612846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate (CID 58128548) is tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC2CC2COCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate?
The InChIKey is GGBPPDSRQTVLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-22(2,3)26-21(24)23-11-9-17(10-12-23)13-19-14-20(19)16-25-15-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3.
What are the key properties of tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate has a molecular weight of 359.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58128548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).