[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C17H23Cl2FN4O — CID 119543316

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H21FN4O.2ClH/c1-19-10-13-6-8-21(9-7-13)17(23)16-11-20-12-22(16)15-4-2-14(18)3-5-15;;/h2-5,11-13,19H,6-10H2,1H3;2*1H
InChIKeyQVAWZIXEIKZBEW-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.93
Rot. Bonds4

About [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119543316) has the molecular formula C17H23Cl2FN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119543316
Molecular FormulaC17H23Cl2FN4O
Molecular Weight389.30 g/mol
Exact Mass388.12
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H21FN4O.2ClH/c1-19-10-13-6-8-21(9-7-13)17(23)16-11-20-12-22(16)15-4-2-14(18)3-5-15;;/h2-5,11-13,19H,6-10H2,1H3;2*1H
InChIKeyQVAWZIXEIKZBEW-UHFFFAOYSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395442
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 119635615
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119576959
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 9120508
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25486840
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833458

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119543316) is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is QVAWZIXEIKZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.2ClH/c1-19-10-13-6-8-21(9-7-13)17(23)16-11-20-12-22(16)15-4-2-14(18)3-5-15;;/h2-5,11-13,19H,6-10H2,1H3;2*1H.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 389.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119543316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).