1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C15H28FN3O — CID 166113747

IUPAC1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-13(2)18-6-4-15(16,5-7-18)12-17-8-10-19(11-9-17)14(3)20/h13H,4-12H2,1-3H3
InChIKeyVVXPMVWOEIHWFX-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.36
Rot. Bonds3

About 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 166113747) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID166113747
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-13(2)18-6-4-15(16,5-7-18)12-17-8-10-19(11-9-17)14(3)20/h13H,4-12H2,1-3H3
InChIKeyVVXPMVWOEIHWFX-UHFFFAOYSA-N
XLogP1.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 75443707
1-(1-Acetyl-4-piperidinyl)-4-ethylpiperazine
CID 781966
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100740257
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
1-(1-Tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one
CID 67034860
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
2-(4-Fluoropiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 117710726
2-(4,4-Difluoropiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 117710780
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
1-(3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-2,2,2-trifluoroethanone
CID 141684721
N-[2-[ethyl-[1-(2-fluoroethyl)piperidin-4-yl]amino]ethyl]-N-methylacetamide
CID 148021145

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 166113747) is 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VVXPMVWOEIHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-13(2)18-6-4-15(16,5-7-18)12-17-8-10-19(11-9-17)14(3)20/h13H,4-12H2,1-3H3.
What are the key properties of 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 285.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166113747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).