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

C26H25F2NO — CID 3072614

IUPAC3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
SMILESOC(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H25F2NO/c27-24-9-5-20(6-10-24)19-1-3-23(4-2-19)26(30)15-18-29-16-13-22(14-17-29)21-7-11-25(28)12-8-21/h1-13,26,30H,14-18H2
InChIKeyVDYRBKDKZRLVQR-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.84
Rot. Bonds6

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

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol (PubChem CID 3072614) has the molecular formula C26H25F2NO and a molecular weight of 405.49 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
PubChem CID3072614
Molecular FormulaC26H25F2NO
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
SMILESOC(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H25F2NO/c27-24-9-5-20(6-10-24)19-1-3-23(4-2-19)26(30)15-18-29-16-13-22(14-17-29)21-7-11-25(28)12-8-21/h1-13,26,30H,14-18H2
InChIKeyVDYRBKDKZRLVQR-UHFFFAOYSA-N
XLogP5.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
1-[4-[chloro(phenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 67893663
3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 140969182
1-(4-fluorophenyl)-3-[4-[4-nitro-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol;hydrochloride
CID 86298988
1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 143598586
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
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 16677240
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 11220282
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
CID 10022988
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol (CID 3072614) is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol is OC(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol?
The InChIKey is VDYRBKDKZRLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO/c27-24-9-5-20(6-10-24)19-1-3-23(4-2-19)26(30)15-18-29-16-13-22(14-17-29)21-7-11-25(28)12-8-21/h1-13,26,30H,14-18H2.
What are the key properties of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol?
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol has a molecular weight of 405.49 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol is sourced from PubChem (CID 3072614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).