tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate

C17H24F2N2O2 — CID 176681811

IUPACtert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCNC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)21(4)12-7-8-20-15(10-12)11-5-6-13(18)14(19)9-11/h5-6,9,12,15,20H,7-8,10H2,1-4H3
InChIKeyUFIQRCCZGRRIKF-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 176681811) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID176681811
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCNC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)21(4)12-7-8-20-15(10-12)11-5-6-13(18)14(19)9-11/h5-6,9,12,15,20H,7-8,10H2,1-4H3
InChIKeyUFIQRCCZGRRIKF-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate (CID 176681811) is tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCNC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is UFIQRCCZGRRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)21(4)12-7-8-20-15(10-12)11-5-6-13(18)14(19)9-11/h5-6,9,12,15,20H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 326.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 176681811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).