2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine

C16H20FN3O — CID 45496819

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
SMILESNCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O/c17-13-4-1-2-5-14(13)19-7-9-20(10-8-19)15(12-18)16-6-3-11-21-16/h1-6,11,15H,7-10,12,18H2
InChIKeyVTXSQYZFKAWBHE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine

2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine (PubChem CID 45496819) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
PubChem CID45496819
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
SMILESNCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O/c17-13-4-1-2-5-14(13)19-7-9-20(10-8-19)15(12-18)16-6-3-11-21-16/h1-6,11,15H,7-10,12,18H2
InChIKeyVTXSQYZFKAWBHE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(furan-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
CID 9161352
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 16809923
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 16809916
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234754
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162925
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 40774952
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809905
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234384

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine (CID 45496819) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine is NCC(c1ccco1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine?
The InChIKey is VTXSQYZFKAWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-4-1-2-5-14(13)19-7-9-20(10-8-19)15(12-18)16-6-3-11-21-16/h1-6,11,15H,7-10,12,18H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 45496819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).