[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine

C16H20FN3O — CID 62423499

IUPAC[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O/c17-14-1-3-15(4-2-14)20-8-6-19(7-9-20)12-16-13(11-18)5-10-21-16/h1-5,10H,6-9,11-12,18H2
InChIKeyKWPHLMQYVRVUQX-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.20
Rot. Bonds4

About [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine

[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine (PubChem CID 62423499) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
PubChem CID62423499
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O/c17-14-1-3-15(4-2-14)20-8-6-19(7-9-20)12-16-13(11-18)5-10-21-16/h1-5,10H,6-9,11-12,18H2
InChIKeyKWPHLMQYVRVUQX-UHFFFAOYSA-N
XLogP2.20
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62424428
[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62774641
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-nitrophenyl]methanamine
CID 59036764
2-[4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamine;dihydrochloride
CID 154892833
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine (CID 62423499) is [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine is NCc1ccoc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The InChIKey is KWPHLMQYVRVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-1-3-15(4-2-14)20-8-6-19(7-9-20)12-16-13(11-18)5-10-21-16/h1-5,10H,6-9,11-12,18H2.
What are the key properties of [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62423499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).