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

C16H21FN2O — CID 155587428

IUPAC1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3(C)CC3)c(F)c2)CC1
InChIInChI=1S/C16H21FN2O/c1-12(20)18-7-9-19(10-8-18)13-3-4-14(15(17)11-13)16(2)5-6-16/h3-4,11H,5-10H2,1-2H3
InChIKeySNXUJFWLUCENNN-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.55
Rot. Bonds2

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

1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 155587428) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone
PubChem CID155587428
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3(C)CC3)c(F)c2)CC1
InChIInChI=1S/C16H21FN2O/c1-12(20)18-7-9-19(10-8-18)13-3-4-14(15(17)11-13)16(2)5-6-16/h3-4,11H,5-10H2,1-2H3
InChIKeySNXUJFWLUCENNN-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913
2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
CID 142405531
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
[5-(4-acetylpiperazin-1-yl)-2-aminophenyl]carbamic acid
CID 90426627
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
[2-(1-methylcyclopropyl)-5-methylsulfonylphenyl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59853676
[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
CID 143497472
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone (CID 155587428) is 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C3(C)CC3)c(F)c2)CC1.
What is the InChIKey of 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is SNXUJFWLUCENNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(20)18-7-9-19(10-8-18)13-3-4-14(15(17)11-13)16(2)5-6-16/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone?
1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 276.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155587428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).