tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate

C24H32FN3O2 — CID 59424374

IUPACtert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)cccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32FN3O2/c1-24(2,3)30-23(29)27-22-19(10-7-11-21(22)25)16-26-20-12-14-28(15-13-20)17-18-8-5-4-6-9-18/h4-11,20,26H,12-17H2,1-3H3,(H,27,29)
InChIKeyAJFSYUBDVAIJPE-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.93
Rot. Bonds6

About tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate

tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate (PubChem CID 59424374) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate
PubChem CID59424374
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Nametert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)cccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32FN3O2/c1-24(2,3)30-23(29)27-22-19(10-7-11-21(22)25)16-26-20-12-14-28(15-13-20)17-18-8-5-4-6-9-18/h4-11,20,26H,12-17H2,1-3H3,(H,27,29)
InChIKeyAJFSYUBDVAIJPE-UHFFFAOYSA-N
XLogP4.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate (CID 59424374) is tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1c(F)cccc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate?
The InChIKey is AJFSYUBDVAIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-24(2,3)30-23(29)27-22-19(10-7-11-21(22)25)16-26-20-12-14-28(15-13-20)17-18-8-5-4-6-9-18/h4-11,20,26H,12-17H2,1-3H3,(H,27,29).
What are the key properties of tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate?
tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate has a molecular weight of 413.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate is sourced from PubChem (CID 59424374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).