benzyl 4,4-difluoropiperidine-1-carboxylate

C13H15F2NO2 — CID 46221212

IUPACbenzyl 4,4-difluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H15F2NO2/c14-13(15)6-8-16(9-7-13)12(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyHDCSURVXXTYXNG-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.05
Rot. Bonds2

About benzyl 4,4-difluoropiperidine-1-carboxylate

benzyl 4,4-difluoropiperidine-1-carboxylate (PubChem CID 46221212) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is benzyl 4,4-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4,4-difluoropiperidine-1-carboxylate
PubChem CID46221212
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Namebenzyl 4,4-difluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H15F2NO2/c14-13(15)6-8-16(9-7-13)12(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyHDCSURVXXTYXNG-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Carbobenzoxy-4-piperidinecarboxylic Acid
CID 736489
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
Benzyl 3-pyrroline-1-carboxylate
CID 643471
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
4-Cbz-aminopiperidine
CID 1514304
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11074472
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286

Frequently Asked Questions

What is the IUPAC name of benzyl 4,4-difluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 4,4-difluoropiperidine-1-carboxylate (CID 46221212) is benzyl 4,4-difluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4,4-difluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 4,4-difluoropiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)(F)CC1.
What is the InChIKey of benzyl 4,4-difluoropiperidine-1-carboxylate?
The InChIKey is HDCSURVXXTYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15)6-8-16(9-7-13)12(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of benzyl 4,4-difluoropiperidine-1-carboxylate?
benzyl 4,4-difluoropiperidine-1-carboxylate has a molecular weight of 255.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,4-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 46221212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).