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

C21H26FNO — CID 45199706

IUPAC[3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CN1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FNO/c1-17-5-2-3-6-19(17)14-23-12-4-11-21(15-23,16-24)13-18-7-9-20(22)10-8-18/h2-3,5-10,24H,4,11-16H2,1H3
InChIKeyGPISMHOZYOQRTE-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.95
Rot. Bonds5

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

[3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45199706) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID45199706
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CN1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FNO/c1-17-5-2-3-6-19(17)14-23-12-4-11-21(15-23,16-24)13-18-7-9-20(22)10-8-18/h2-3,5-10,24H,4,11-16H2,1H3
InChIKeyGPISMHOZYOQRTE-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 45199706) is [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccccc1CN1CCCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is GPISMHOZYOQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-17-5-2-3-6-19(17)14-23-12-4-11-21(15-23,16-24)13-18-7-9-20(22)10-8-18/h2-3,5-10,24H,4,11-16H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 327.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45199706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).