[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol

C14H20FNO — CID 43584730

IUPAC[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
SMILESCCC1CCCN(c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO/c1-2-11-4-3-7-16(9-11)14-6-5-12(10-17)8-13(14)15/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyPLAAHUMBEFTGGM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

About [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol

[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol (PubChem CID 43584730) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
PubChem CID43584730
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
SMILESCCC1CCCN(c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO/c1-2-11-4-3-7-16(9-11)14-6-5-12(10-17)8-13(14)15/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyPLAAHUMBEFTGGM-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol (CID 43584730) is [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol is CCC1CCCN(c2ccc(CO)cc2F)C1.
What is the InChIKey of [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol?
The InChIKey is PLAAHUMBEFTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-11-4-3-7-16(9-11)14-6-5-12(10-17)8-13(14)15/h5-6,8,11,17H,2-4,7,9-10H2,1H3.
What are the key properties of [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol?
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 43584730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).