[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol

C14H19F2NO2 — CID 55148134

IUPAC[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol
SMILESCCOC1CCN(c2c(F)cc(CO)cc2F)CC1
InChIInChI=1S/C14H19F2NO2/c1-2-19-11-3-5-17(6-4-11)14-12(15)7-10(9-18)8-13(14)16/h7-8,11,18H,2-6,9H2,1H3
InChIKeyHJKDZCMSNNZVMU-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.46
Rot. Bonds4

About [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol

[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol (PubChem CID 55148134) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol
PubChem CID55148134
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol
SMILESCCOC1CCN(c2c(F)cc(CO)cc2F)CC1
InChIInChI=1S/C14H19F2NO2/c1-2-19-11-3-5-17(6-4-11)14-12(15)7-10(9-18)8-13(14)16/h7-8,11,18H,2-6,9H2,1H3
InChIKeyHJKDZCMSNNZVMU-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol (CID 55148134) is [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol is CCOC1CCN(c2c(F)cc(CO)cc2F)CC1.
What is the InChIKey of [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol?
The InChIKey is HJKDZCMSNNZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-19-11-3-5-17(6-4-11)14-12(15)7-10(9-18)8-13(14)16/h7-8,11,18H,2-6,9H2,1H3.
What are the key properties of [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol?
[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol has a molecular weight of 271.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 55148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).