3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol

C14H18FNO — CID 140969182

IUPAC3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CC=CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h1-2,4-7,14,17H,3,8-11H2
InChIKeySBTVCUPOHQCZBX-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.51
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol

3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 140969182) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
PubChem CID140969182
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CC=CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h1-2,4-7,14,17H,3,8-11H2
InChIKeySBTVCUPOHQCZBX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-1-ol
CID 79916131
1-(4-fluorophenyl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 62629822
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol (CID 140969182) is 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol is OC(CCN1CC=CCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is SBTVCUPOHQCZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h1-2,4-7,14,17H,3,8-11H2.
What are the key properties of 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 235.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 140969182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).