3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one

C16H21FN2O — CID 62645116

IUPAC3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C16H21FN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13H,5-12H2
InChIKeyJWBBPDHLEGOSCS-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.18
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one

3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one (PubChem CID 62645116) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
PubChem CID62645116
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C16H21FN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13H,5-12H2
InChIKeyJWBBPDHLEGOSCS-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
CID 62643032
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 10112652
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-one
CID 62619210
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 65324258
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 55101340
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one (CID 62645116) is 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one is O=C(CCN1CCN(C2CC2)CC1)c1ccccc1F.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The InChIKey is JWBBPDHLEGOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13H,5-12H2.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one?
3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one has a molecular weight of 276.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 62645116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).