2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone

C15H20F2N2O — CID 95548860

IUPAC2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2N2O/c16-13-4-1-5-14(17)12(13)7-6-11-3-2-8-19(10-11)15(20)9-18/h1,4-5,11H,2-3,6-10,18H2/t11-/m1/s1
InChIKeyNUMMQHVAMGVDDN-LLVKDONJSA-N
MW282.33 g/mol
LogP2.09
Rot. Bonds4

About 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone

2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 95548860) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID95548860
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2N2O/c16-13-4-1-5-14(17)12(13)7-6-11-3-2-8-19(10-11)15(20)9-18/h1,4-5,11H,2-3,6-10,18H2/t11-/m1/s1
InChIKeyNUMMQHVAMGVDDN-LLVKDONJSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
4-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95532286
methyl 5-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
CID 42508162
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
N-[3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95551093
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
3-[2-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2H-oxadiazol-3-ium-5-one
CID 42245393

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone (CID 95548860) is 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone is NCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1.
What is the InChIKey of 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is NUMMQHVAMGVDDN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-13-4-1-5-14(17)12(13)7-6-11-3-2-8-19(10-11)15(20)9-18/h1,4-5,11H,2-3,6-10,18H2/t11-/m1/s1.
What are the key properties of 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95548860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).