1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine

C21H28FN3O — CID 45167770

IUPAC1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
SMILESCc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)o1
InChIInChI=1S/C21H28FN3O/c1-17-4-9-21(26-17)16-23-10-2-3-20(15-23)25-13-11-24(12-14-25)19-7-5-18(22)6-8-19/h4-9,20H,2-3,10-16H2,1H3
InChIKeyGRXLHLPILQGVCQ-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine

1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 45167770) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
PubChem CID45167770
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
SMILESCc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)o1
InChIInChI=1S/C21H28FN3O/c1-17-4-9-21(26-17)16-23-10-2-3-20(15-23)25-13-11-24(12-14-25)19-7-5-18(22)6-8-19/h4-9,20H,2-3,10-16H2,1H3
InChIKeyGRXLHLPILQGVCQ-UHFFFAOYSA-N
XLogP3.51
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 29256062
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 45239684
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
1-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 28824109
4-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]ethyl]-1,4-oxazepane
CID 126893121

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine (CID 45167770) is 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine is Cc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is GRXLHLPILQGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-17-4-9-21(26-17)16-23-10-2-3-20(15-23)25-13-11-24(12-14-25)19-7-5-18(22)6-8-19/h4-9,20H,2-3,10-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine?
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 357.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 45167770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).