tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate

C23H28F2N2O2 — CID 166070730

IUPACtert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(F)cc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28F2N2O2/c1-22(2,3)29-21(28)26-23(19-10-9-18(24)15-20(19)25)11-13-27(14-12-23)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyDVEQQTMPUIOLRB-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate

tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate (PubChem CID 166070730) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate
PubChem CID166070730
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Nametert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(F)cc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28F2N2O2/c1-22(2,3)29-21(28)26-23(19-10-9-18(24)15-20(19)25)11-13-27(14-12-23)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyDVEQQTMPUIOLRB-UHFFFAOYSA-N
XLogP4.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139535988
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 166652951
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
methyl 2-[1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]acetate
CID 164729551
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
tert-butyl N-(3-benzyl-5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)carbamate
CID 139713311
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365
tert-butyl N-[(3aR,7aR)-2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]carbamate
CID 90406229
tert-butyl N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate
CID 69415751
ethyl 1-benzyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2,5-dihydropyrrole-3-carboxylate
CID 21261012
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate (CID 166070730) is tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(F)cc2F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate?
The InChIKey is DVEQQTMPUIOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-22(2,3)29-21(28)26-23(19-10-9-18(24)15-20(19)25)11-13-27(14-12-23)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate has a molecular weight of 402.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 166070730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).