1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone

C14H20FN3O — CID 106530754

IUPAC1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
SMILESCNCc1cc(F)cc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11(19)17-3-5-18(6-4-17)14-8-12(10-16-2)7-13(15)9-14/h7-9,16H,3-6,10H2,1-2H3
InChIKeyRFQBVTBDNWLJEE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone

1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 106530754) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID106530754
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
SMILESCNCc1cc(F)cc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11(19)17-3-5-18(6-4-17)14-8-12(10-16-2)7-13(15)9-14/h7-9,16H,3-6,10H2,1-2H3
InChIKeyRFQBVTBDNWLJEE-UHFFFAOYSA-N
XLogP1.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
1-[4-[3-(aminomethyl)-5-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 102813773
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
CID 106530760
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530994
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
CID 106531142
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 106531169

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone (CID 106530754) is 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone is CNCc1cc(F)cc(N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is RFQBVTBDNWLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11(19)17-3-5-18(6-4-17)14-8-12(10-16-2)7-13(15)9-14/h7-9,16H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone?
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 106530754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).