[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol

C12H14FNO — CID 70117167

IUPAC[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
SMILESOCC1CN=CCC1c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,6,10,12,15H,5,7-8H2
InChIKeyQMCYGAXPYXPMPT-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.99
Rot. Bonds2

About [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol

[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol (PubChem CID 70117167) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
PubChem CID70117167
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
SMILESOCC1CN=CCC1c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,6,10,12,15H,5,7-8H2
InChIKeyQMCYGAXPYXPMPT-UHFFFAOYSA-N
XLogP1.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol (CID 70117167) is [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol is OCC1CN=CCC1c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol?
The InChIKey is QMCYGAXPYXPMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,6,10,12,15H,5,7-8H2.
What are the key properties of [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol?
[4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol has a molecular weight of 207.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol is sourced from PubChem (CID 70117167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).