1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

C21H22FN3O — CID 77081878

IUPAC1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccccc1-c1ccc(CN2CCN(Cc3cccnc3)CC2)o1
InChIInChI=1S/C21H22FN3O/c22-20-6-2-1-5-19(20)21-8-7-18(26-21)16-25-12-10-24(11-13-25)15-17-4-3-9-23-14-17/h1-9,14H,10-13,15-16H2
InChIKeyRSNPUMXKTKBRBN-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.80
Rot. Bonds5

About 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 77081878) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID77081878
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccccc1-c1ccc(CN2CCN(Cc3cccnc3)CC2)o1
InChIInChI=1S/C21H22FN3O/c22-20-6-2-1-5-19(20)21-8-7-18(26-21)16-25-12-10-24(11-13-25)15-17-4-3-9-23-14-17/h1-9,14H,10-13,15-16H2
InChIKeyRSNPUMXKTKBRBN-UHFFFAOYSA-N
XLogP3.80
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
CID 50979162
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781934
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 56902027
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 56904232
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl]methanone
CID 19572723
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 77081878) is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is Fc1ccccc1-c1ccc(CN2CCN(Cc3cccnc3)CC2)o1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is RSNPUMXKTKBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-20-6-2-1-5-19(20)21-8-7-18(26-21)16-25-12-10-24(11-13-25)15-17-4-3-9-23-14-17/h1-9,14H,10-13,15-16H2.
What are the key properties of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 351.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 77081878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).