benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate

C13H16F2N2O2 — CID 53302224

IUPACbenzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
SMILESNC1CN(C(=O)OCc2ccccc2)CCC1(F)F
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-7-17(8-11(13)16)12(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9,16H2
InChIKeyPKYOJRHHBIKEJM-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.99
Rot. Bonds2

About benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate

benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate (PubChem CID 53302224) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
PubChem CID53302224
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namebenzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
SMILESNC1CN(C(=O)OCc2ccccc2)CCC1(F)F
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-7-17(8-11(13)16)12(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9,16H2
InChIKeyPKYOJRHHBIKEJM-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate (CID 53302224) is benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate is NC1CN(C(=O)OCc2ccccc2)CCC1(F)F.
What is the InChIKey of benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate?
The InChIKey is PKYOJRHHBIKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)6-7-17(8-11(13)16)12(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9,16H2.
What are the key properties of benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate?
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 53302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).