benzyl 4-(difluoromethoxy)piperidine-1-carboxylate

C14H17F2NO3 — CID 67527865

IUPACbenzyl 4-(difluoromethoxy)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OC(F)F)CC1
InChIInChI=1S/C14H17F2NO3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyQIZJGMLPFYOMIS-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.03
Rot. Bonds4

About benzyl 4-(difluoromethoxy)piperidine-1-carboxylate

benzyl 4-(difluoromethoxy)piperidine-1-carboxylate (PubChem CID 67527865) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is benzyl 4-(difluoromethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(difluoromethoxy)piperidine-1-carboxylate
PubChem CID67527865
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Namebenzyl 4-(difluoromethoxy)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OC(F)F)CC1
InChIInChI=1S/C14H17F2NO3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyQIZJGMLPFYOMIS-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-(2,2-difluoro-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 167720294
benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
CID 114280142
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
CID 134822051

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(difluoromethoxy)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(difluoromethoxy)piperidine-1-carboxylate (CID 67527865) is benzyl 4-(difluoromethoxy)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(difluoromethoxy)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(difluoromethoxy)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(OC(F)F)CC1.
What is the InChIKey of benzyl 4-(difluoromethoxy)piperidine-1-carboxylate?
The InChIKey is QIZJGMLPFYOMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of benzyl 4-(difluoromethoxy)piperidine-1-carboxylate?
benzyl 4-(difluoromethoxy)piperidine-1-carboxylate has a molecular weight of 285.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(difluoromethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 67527865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).