benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate

C20H22F2N2O3 — CID 114280142

IUPACbenzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C20H22F2N2O3/c21-19(22)27-18-8-4-7-17(13-18)23-16-9-11-24(12-10-16)20(25)26-14-15-5-2-1-3-6-15/h1-8,13,16,19,23H,9-12,14H2
InChIKeySYGVNPUIXAXGHZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.50
Rot. Bonds6

About benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate

benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate (PubChem CID 114280142) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
PubChem CID114280142
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Namebenzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C20H22F2N2O3/c21-19(22)27-18-8-4-7-17(13-18)23-16-9-11-24(12-10-16)20(25)26-14-15-5-2-1-3-6-15/h1-8,13,16,19,23H,9-12,14H2
InChIKeySYGVNPUIXAXGHZ-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate 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

4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
CID 114280143
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-[4-(1,2,2-tricyanoethenylamino)anilino]piperidine-1-carboxylate
CID 168608705
benzyl 4-(3,4-difluoroanilino)piperidine-1-carboxylate;benzyl 2-iodo-4-oxopiperidine-1-carboxylate
CID 68733292

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate (CID 114280142) is benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Nc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate?
The InChIKey is SYGVNPUIXAXGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-19(22)27-18-8-4-7-17(13-18)23-16-9-11-24(12-10-16)20(25)26-14-15-5-2-1-3-6-15/h1-8,13,16,19,23H,9-12,14H2.
What are the key properties of benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate?
benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate has a molecular weight of 376.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 114280142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).