cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone

C15H19FN2O — CID 17250044

IUPACcyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c16-14-3-1-2-12(10-14)11-17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyAMKRJCUNQWANKK-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.88
Rot. Bonds3

About cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 17250044) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID17250044
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Namecyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c16-14-3-1-2-12(10-14)11-17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyAMKRJCUNQWANKK-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291254
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 165417324
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 155937921
2-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 56903187
cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23828867
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
(1R,2S,3R,4S)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11922591
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 46998185

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 17250044) is cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is AMKRJCUNQWANKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-14-3-1-2-12(10-14)11-17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9,11H2.
What are the key properties of cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 262.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17250044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).