2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone

C10H20FN3O — CID 81113401

IUPAC2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCCF)CC(=O)N1CCNCC1
InChIInChI=1S/C10H20FN3O/c1-13(6-2-3-11)9-10(15)14-7-4-12-5-8-14/h12H,2-9H2,1H3
InChIKeyJCAXTIMETHLEMB-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.29
Rot. Bonds5

About 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone

2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone (PubChem CID 81113401) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
PubChem CID81113401
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCCF)CC(=O)N1CCNCC1
InChIInChI=1S/C10H20FN3O/c1-13(6-2-3-11)9-10(15)14-7-4-12-5-8-14/h12H,2-9H2,1H3
InChIKeyJCAXTIMETHLEMB-UHFFFAOYSA-N
XLogP-0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone (CID 81113401) is 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone is CN(CCCF)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is JCAXTIMETHLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O/c1-13(6-2-3-11)9-10(15)14-7-4-12-5-8-14/h12H,2-9H2,1H3.
What are the key properties of 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone?
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 217.29 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 81113401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).