2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone

C15H21FN2O — CID 81365567

IUPAC2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-12(13-6-5-7-14(16)10-13)17-11-15(19)18-8-3-2-4-9-18/h5-7,10,12,17H,2-4,8-9,11H2,1H3/t12-/m1/s1
InChIKeyRMQYWENPCVERIK-GFCCVEGCSA-N
MW264.34 g/mol
LogP2.49
Rot. Bonds4

About 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone (PubChem CID 81365567) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
PubChem CID81365567
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-12(13-6-5-7-14(16)10-13)17-11-15(19)18-8-3-2-4-9-18/h5-7,10,12,17H,2-4,8-9,11H2,1H3/t12-/m1/s1
InChIKeyRMQYWENPCVERIK-GFCCVEGCSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333134
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333135
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone (CID 81365567) is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone is C[C@@H](NCC(=O)N1CCCCC1)c1cccc(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is RMQYWENPCVERIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(13-6-5-7-14(16)10-13)17-11-15(19)18-8-3-2-4-9-18/h5-7,10,12,17H,2-4,8-9,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone?
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 264.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 81365567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).