2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol

C14H18FNO — CID 10911514

IUPAC2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
SMILESOCCC1=CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c15-14-3-1-13(2-4-14)11-16-8-5-12(6-9-16)7-10-17/h1-5,17H,6-11H2
InChIKeyQRLIBFSEEWFEIN-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol

2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol (PubChem CID 10911514) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
PubChem CID10911514
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
SMILESOCCC1=CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c15-14-3-1-13(2-4-14)11-16-8-5-12(6-9-16)7-10-17/h1-5,17H,6-11H2
InChIKeyQRLIBFSEEWFEIN-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol (CID 10911514) is 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol is OCCC1=CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The InChIKey is QRLIBFSEEWFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14-3-1-13(2-4-14)11-16-8-5-12(6-9-16)7-10-17/h1-5,17H,6-11H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol has a molecular weight of 235.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol is sourced from PubChem (CID 10911514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).