tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate

C17H24F2N2O2 — CID 22182435

IUPACtert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)
InChIKeyJUFASUSPQFHDEK-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 22182435) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
PubChem CID22182435
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)
InChIKeyJUFASUSPQFHDEK-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
tert-butyl N-[1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 158272872
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[1-[(2-bromo-4-pyridinyl)methyl]piperidin-4-yl]carbamate
CID 71632186
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
tert-butyl N-[1-[(5-fluorothiophen-2-yl)methyl]piperidin-4-yl]carbamate
CID 50896527
tert-butyl N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
CID 60512993
tert-butyl N-[1-(isoquinolin-6-ylmethyl)piperidin-4-yl]carbamate
CID 58080855
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl N-[[1-[(3-fluoro-5-hydroxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 167718431
tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206
tert-butyl N-[1-[(4-fluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 176507965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate (CID 22182435) is tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is JUFASUSPQFHDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 326.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 22182435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).