tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate

C17H24F2N2O2 — CID 112544579

IUPACtert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(c2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O2/c1-11-7-13(20-16(22)23-17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22)
InChIKeyUINSHYRPZAVDJW-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate (PubChem CID 112544579) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
PubChem CID112544579
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(c2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O2/c1-11-7-13(20-16(22)23-17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22)
InChIKeyUINSHYRPZAVDJW-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542336
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611
tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
CID 112544558
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[(3R,5S)-1-(8-formylquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129241241
tert-butyl N-[4-[(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144796887
tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
CID 146316866
tert-butyl N-[1-[3-[[3-(2,6-difluorophenyl)-4-fluorophenyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 145199435
tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544390
tert-butyl N-[(3S,5R)-1-(3-isothiocyanato-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 131734135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate (CID 112544579) is tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate is CC1CC(NC(=O)OC(C)(C)C)CN(c2cc(F)ccc2F)C1.
What is the InChIKey of tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is UINSHYRPZAVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11-7-13(20-16(22)23-17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 326.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).