tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate

C32H46N2O3 — CID 10207562

IUPACtert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CON2C(C)(C)CCCC2(C)C)CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H46N2O3/c1-30(2,3)37-29(35)27-26(23-36-34-31(4,5)19-14-20-32(34,6)7)22-33(21-24-15-10-8-11-16-24)28(27)25-17-12-9-13-18-25/h8-13,15-18,26-28H,14,19-23H2,1-7H3
InChIKeyLFSOVMOFKSZURF-UHFFFAOYSA-N
MW506.73 g/mol
LogP6.79
Rot. Bonds7

About tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate

tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate (PubChem CID 10207562) has the molecular formula C32H46N2O3 and a molecular weight of 506.73 g/mol. Its IUPAC name is tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate
PubChem CID10207562
Molecular FormulaC32H46N2O3
Molecular Weight506.73 g/mol
Exact Mass506.35
IUPAC Nametert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CON2C(C)(C)CCCC2(C)C)CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H46N2O3/c1-30(2,3)37-29(35)27-26(23-36-34-31(4,5)19-14-20-32(34,6)7)22-33(21-24-15-10-8-11-16-24)28(27)25-17-12-9-13-18-25/h8-13,15-18,26-28H,14,19-23H2,1-7H3
InChIKeyLFSOVMOFKSZURF-UHFFFAOYSA-N
XLogP6.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl (2S,3R)-1-benzyl-2-phenylpiperidine-3-carboxylate
CID 71501992
tert-butyl (2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylate
CID 140904864
tert-butyl 3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 11741009
tert-butyl (2R,3S)-7-chloro-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindole-1-carboxylate
CID 101469208
5-O-tert-butyl 7-O-methyl (3S,5S,6R,7R,7aS)-1-benzyl-6-methyl-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 11733080
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
tert-butyl 1-[(4-chlorophenyl)methyl]aziridine-2-carboxylate
CID 167976398
tert-butyl (2R,3S,4R)-2-methyl-1-[(1R)-1-phenylethyl]-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]pyrrolidine-3-carboxylate
CID 164684956
tert-butyl N-[[1-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]methyl]carbamate
CID 18430867
tert-butyl (2R,5R)-4-benzyl-5-formyl-2-methylpiperazine-1-carboxylate
CID 86724020
tert-butyl 8-cyano-5-phenylmethoxy-1-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-1,2-dihydrobenzo[e]indole-3-carboxylate
CID 10626864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate (CID 10207562) is tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate is CC(C)(C)OC(=O)C1C(CON2C(C)(C)CCCC2(C)C)CN(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate?
The InChIKey is LFSOVMOFKSZURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O3/c1-30(2,3)37-29(35)27-26(23-36-34-31(4,5)19-14-20-32(34,6)7)22-33(21-24-15-10-8-11-16-24)28(27)25-17-12-9-13-18-25/h8-13,15-18,26-28H,14,19-23H2,1-7H3.
What are the key properties of tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate?
tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate has a molecular weight of 506.73 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-benzyl-2-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 10207562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).