1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine

C21H23FN4O — CID 47052543

IUPAC1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(N2CCN(c3cc(CNCc4ccco4)ccn3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c22-18-3-5-19(6-4-18)25-9-11-26(12-10-25)21-14-17(7-8-24-21)15-23-16-20-2-1-13-27-20/h1-8,13-14,23H,9-12,15-16H2
InChIKeyGXVXKLHIMQMIGG-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 47052543) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
PubChem CID47052543
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(N2CCN(c3cc(CNCc4ccco4)ccn3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c22-18-3-5-19(6-4-18)25-9-11-26(12-10-25)21-14-17(7-8-24-21)15-23-16-20-2-1-13-27-20/h1-8,13-14,23H,9-12,15-16H2
InChIKeyGXVXKLHIMQMIGG-UHFFFAOYSA-N
XLogP3.43
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916233
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
CID 51086139
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065148
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
1-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953504
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
CID 110990749
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine (CID 47052543) is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine is Fc1ccc(N2CCN(c3cc(CNCc4ccco4)ccn3)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is GXVXKLHIMQMIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-3-5-19(6-4-18)25-9-11-26(12-10-25)21-14-17(7-8-24-21)15-23-16-20-2-1-13-27-20/h1-8,13-14,23H,9-12,15-16H2.
What are the key properties of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine?
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 366.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 47052543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).