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

C21H26FNO — CID 23723607

IUPAC[3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H26FNO/c22-20-10-5-4-9-19(20)15-21(17-24)12-6-13-23(16-21)14-11-18-7-2-1-3-8-18/h1-5,7-10,24H,6,11-17H2
InChIKeyIHQMFXYVWUUMMV-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.69
Rot. Bonds6

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

[3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 23723607) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID23723607
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H26FNO/c22-20-10-5-4-9-19(20)15-21(17-24)12-6-13-23(16-21)14-11-18-7-2-1-3-8-18/h1-5,7-10,24H,6,11-17H2
InChIKeyIHQMFXYVWUUMMV-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol (CID 23723607) is [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(CCc2ccccc2)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is IHQMFXYVWUUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c22-20-10-5-4-9-19(20)15-21(17-24)12-6-13-23(16-21)14-11-18-7-2-1-3-8-18/h1-5,7-10,24H,6,11-17H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 327.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 23723607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).