3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one

C17H23FN2O — CID 62643032

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(CC2CC2)CC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c18-16-4-2-1-3-15(16)17(21)7-8-19-9-11-20(12-10-19)13-14-5-6-14/h1-4,14H,5-13H2
InChIKeyMOULMNLVBUQXQL-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.43
Rot. Bonds6

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one

3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one (PubChem CID 62643032) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
PubChem CID62643032
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(CC2CC2)CC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c18-16-4-2-1-3-15(16)17(21)7-8-19-9-11-20(12-10-19)13-14-5-6-14/h1-4,14H,5-13H2
InChIKeyMOULMNLVBUQXQL-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 62645116
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
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-one
CID 62619210
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 65324258
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62618678
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 107880779

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one (CID 62643032) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one is O=C(CCN1CCN(CC2CC2)CC1)c1ccccc1F.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is MOULMNLVBUQXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-4-2-1-3-15(16)17(21)7-8-19-9-11-20(12-10-19)13-14-5-6-14/h1-4,14H,5-13H2.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 290.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 62643032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).