1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone

C15H20F2N2O — CID 53317581

IUPAC1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-10(20)19-6-4-11(5-7-19)15(18)9-12-8-13(16)2-3-14(12)17/h2-3,8,11,15H,4-7,9,18H2,1H3/t15-/m1/s1
InChIKeyGHJQMOHMNJXRSC-OAHLLOKOSA-N
MW282.33 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone

1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 53317581) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID53317581
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-10(20)19-6-4-11(5-7-19)15(18)9-12-8-13(16)2-3-14(12)17/h2-3,8,11,15H,4-7,9,18H2,1H3/t15-/m1/s1
InChIKeyGHJQMOHMNJXRSC-OAHLLOKOSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone (CID 53317581) is 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is GHJQMOHMNJXRSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(20)19-6-4-11(5-7-19)15(18)9-12-8-13(16)2-3-14(12)17/h2-3,8,11,15H,4-7,9,18H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53317581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).