(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol

C22H25NO2 — CID 40501801

IUPAC(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
SMILESCOc1ccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25NO2/c1-25-21-11-9-18(10-12-21)7-8-19-13-15-23(16-14-19)17-22(24)20-5-3-2-4-6-20/h2-13,22,24H,14-17H2,1H3/b8-7+/t22-/m1/s1
InChIKeyPFGACNCYPUZIOS-VQKOGROQSA-N
MW335.45 g/mol
LogP4.07
Rot. Bonds6

About (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol

(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol (PubChem CID 40501801) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
PubChem CID40501801
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
SMILESCOc1ccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25NO2/c1-25-21-11-9-18(10-12-21)7-8-19-13-15-23(16-14-19)17-22(24)20-5-3-2-4-6-20/h2-13,22,24H,14-17H2,1H3/b8-7+/t22-/m1/s1
InChIKeyPFGACNCYPUZIOS-VQKOGROQSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol with MolForge

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Related Compounds

(1S)-2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 6549292
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 2836402
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 134158894
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 17442681
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
3-(3,4-dimethoxyphenyl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]prop-2-en-1-one
CID 70430326

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol (CID 40501801) is (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol is COc1ccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1.
What is the InChIKey of (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The InChIKey is PFGACNCYPUZIOS-VQKOGROQSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-21-11-9-18(10-12-21)7-8-19-13-15-23(16-14-19)17-22(24)20-5-3-2-4-6-20/h2-13,22,24H,14-17H2,1H3/b8-7+/t22-/m1/s1.
What are the key properties of (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol has a molecular weight of 335.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol is sourced from PubChem (CID 40501801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).