tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate

C23H30N2O2 — CID 118798320

IUPACtert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)27-22(26)24-16-14-21(15-17-24)25(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3
InChIKeyHULVTHHCVMDEHS-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.09
Rot. Bonds4

About tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate

tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate (PubChem CID 118798320) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
PubChem CID118798320
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)27-22(26)24-16-14-21(15-17-24)25(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3
InChIKeyHULVTHHCVMDEHS-UHFFFAOYSA-N
XLogP5.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 68810453
tert-butyl 4-[N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]piperidine-1-carboxylate
CID 10072557
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylate
CID 10024835
tert-butyl 4-[N-[(3-chlorophenyl)methyl]-4-fluoroanilino]piperidine-1-carboxylate
CID 10341997
tert-butyl 4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidine-1-carboxylate
CID 87570963
tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate
CID 100648914
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-1-carboxylate
CID 16724784
tert-butyl 4-[4-[acetyl(benzyl)amino]phenyl]piperidine-1-carboxylate
CID 22179851
2-[chloro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 174543785
tert-butyl 4-[3-(dibenzylamino)phenyl]-4-fluoropiperidine-1-carboxylate
CID 129320067

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate (CID 118798320) is tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate?
The InChIKey is HULVTHHCVMDEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)27-22(26)24-16-14-21(15-17-24)25(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3.
What are the key properties of tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate?
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 118798320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).