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

C28H30FNO — CID 67806818

IUPAC1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
SMILESCCC(C(O)c1ccc(Cc2ccc(F)cc2)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H30FNO/c1-2-27(30-18-16-24(17-19-30)23-6-4-3-5-7-23)28(31)25-12-8-21(9-13-25)20-22-10-14-26(29)15-11-22/h3-16,27-28,31H,2,17-20H2,1H3
InChIKeyUZDPUUGMUYKLTF-UHFFFAOYSA-N
MW415.55 g/mol
LogP6.02
Rot. Bonds7

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

1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol (PubChem CID 67806818) has the molecular formula C28H30FNO and a molecular weight of 415.55 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
PubChem CID67806818
Molecular FormulaC28H30FNO
Molecular Weight415.55 g/mol
Exact Mass415.23
IUPAC Name1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
SMILESCCC(C(O)c1ccc(Cc2ccc(F)cc2)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H30FNO/c1-2-27(30-18-16-24(17-19-30)23-6-4-3-5-7-23)28(31)25-12-8-21(9-13-25)20-22-10-14-26(29)15-11-22/h3-16,27-28,31H,2,17-20H2,1H3
InChIKeyUZDPUUGMUYKLTF-UHFFFAOYSA-N
XLogP6.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine;oxalic acid
CID 70076703
bis(4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine);oxalic acid
CID 174371552
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103501712
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one
CID 19779674
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
4-(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine
CID 22132290
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
2-[(4-fluorophenyl)methyl]-3-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111263796
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
CID 10022988
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol (CID 67806818) is 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol is CCC(C(O)c1ccc(Cc2ccc(F)cc2)cc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The InChIKey is UZDPUUGMUYKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO/c1-2-27(30-18-16-24(17-19-30)23-6-4-3-5-7-23)28(31)25-12-8-21(9-13-25)20-22-10-14-26(29)15-11-22/h3-16,27-28,31H,2,17-20H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol has a molecular weight of 415.55 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]phenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-ol is sourced from PubChem (CID 67806818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).