[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol

C21H29FN2O2 — CID 25456584

IUPAC[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C21H29FN2O2/c1-23(15-20-5-6-21(16-25)26-20)14-18-8-11-24(12-9-18)10-7-17-3-2-4-19(22)13-17/h2-6,13,18,25H,7-12,14-16H2,1H3
InChIKeyYMWZFDDIYKQGKX-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.30
Rot. Bonds8

About [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol

[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol (PubChem CID 25456584) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol
PubChem CID25456584
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C21H29FN2O2/c1-23(15-20-5-6-21(16-25)26-20)14-18-8-11-24(12-9-18)10-7-17-3-2-4-19(22)13-17/h2-6,13,18,25H,7-12,14-16H2,1H3
InChIKeyYMWZFDDIYKQGKX-UHFFFAOYSA-N
XLogP3.30
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol (CID 25456584) is [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol is CN(Cc1ccc(CO)o1)CC1CCN(CCc2cccc(F)c2)CC1.
What is the InChIKey of [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The InChIKey is YMWZFDDIYKQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-23(15-20-5-6-21(16-25)26-20)14-18-8-11-24(12-9-18)10-7-17-3-2-4-19(22)13-17/h2-6,13,18,25H,7-12,14-16H2,1H3.
What are the key properties of [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
[5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol has a molecular weight of 360.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 25456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).