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

C17H26Cl2FN3O — CID 119946055

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1.Cl.Cl
InChIInChI=1S/C17H24FN3O.2ClH/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;2*1H
InChIKeyDGDREGRLWZZOSS-UHFFFAOYSA-N
MW378.32 g/mol
LogP2.71
Rot. Bonds2

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

[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride (PubChem CID 119946055) has the molecular formula C17H26Cl2FN3O and a molecular weight of 378.32 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
PubChem CID119946055
Molecular FormulaC17H26Cl2FN3O
Molecular Weight378.32 g/mol
Exact Mass377.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1.Cl.Cl
InChIInChI=1S/C17H24FN3O.2ClH/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;2*1H
InChIKeyDGDREGRLWZZOSS-UHFFFAOYSA-N
XLogP2.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.71
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
CID 119946056
[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
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119944853
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride (CID 119946055) is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride is CC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCNC1.Cl.Cl.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride?
The InChIKey is DGDREGRLWZZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O.2ClH/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;2*1H.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride?
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride has a molecular weight of 378.32 g/mol, XLogP of 2.71, 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;dihydrochloride is sourced from PubChem (CID 119946055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).