1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone

C15H21FN2O — CID 30980260

IUPAC1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@H](C)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-12(11-14-5-3-4-6-15(14)16)17-7-9-18(10-8-17)13(2)19/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyGUYOQIIHKKMFIT-GFCCVEGCSA-N
MW264.34 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone

1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone (PubChem CID 30980260) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
PubChem CID30980260
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@H](C)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-12(11-14-5-3-4-6-15(14)16)17-7-9-18(10-8-17)13(2)19/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyGUYOQIIHKKMFIT-GFCCVEGCSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)methyl 4-butan-2-ylpiperazine-1-carboxylate
CID 174474103
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352236
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone (CID 30980260) is 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN([C@H](C)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone?
The InChIKey is GUYOQIIHKKMFIT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(11-14-5-3-4-6-15(14)16)17-7-9-18(10-8-17)13(2)19/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone?
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone has a molecular weight of 264.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).