[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

C17H24FN3O — CID 119946056

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1
InChIInChI=1S/C17H24FN3O/c1-17(7-4-8-19-13-17)16(22)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-3,5-6,19H,4,7-13H2,1H3
InChIKeyGNZDBMNWPBNDLO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.86
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (PubChem CID 119946056) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
PubChem CID119946056
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1
InChIInChI=1S/C17H24FN3O/c1-17(7-4-8-19-13-17)16(22)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-3,5-6,19H,4,7-13H2,1H3
InChIKeyGNZDBMNWPBNDLO-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946184
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (CID 119946056) is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The InChIKey is GNZDBMNWPBNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-17(7-4-8-19-13-17)16(22)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-3,5-6,19H,4,7-13H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 119946056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).