[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol

C21H27FN2O — CID 56853032

IUPAC[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol
SMILESCC(Cc1cccnc1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H27FN2O/c1-17(12-19-5-3-9-23-15-19)24-10-7-21(16-25,8-11-24)14-18-4-2-6-20(22)13-18/h2-6,9,13,15,17,25H,7-8,10-12,14,16H2,1H3
InChIKeyGMBRDEVUKGJSIX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.47
Rot. Bonds6

About [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol (PubChem CID 56853032) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol
PubChem CID56853032
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol
SMILESCC(Cc1cccnc1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H27FN2O/c1-17(12-19-5-3-9-23-15-19)24-10-7-21(16-25,8-11-24)14-18-4-2-6-20(22)13-18/h2-6,9,13,15,17,25H,7-8,10-12,14,16H2,1H3
InChIKeyGMBRDEVUKGJSIX-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol (CID 56853032) is [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol is CC(Cc1cccnc1)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol?
The InChIKey is GMBRDEVUKGJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17(12-19-5-3-9-23-15-19)24-10-7-21(16-25,8-11-24)14-18-4-2-6-20(22)13-18/h2-6,9,13,15,17,25H,7-8,10-12,14,16H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol has a molecular weight of 342.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56853032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).