[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C21H23NO2 — CID 126434214

IUPAC[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2ccc(-c3cccc([C@@H](C)O)c3)cc2)CC1
InChIInChI=1S/C21H23NO2/c1-15-10-12-22(13-11-15)21(24)18-8-6-17(7-9-18)20-5-3-4-19(14-20)16(2)23/h3-10,14,16,23H,11-13H2,1-2H3/t16-/m1/s1
InChIKeyFLYVOBBZDVPDDA-MRXNPFEDSA-N
MW321.42 g/mol
LogP4.20
Rot. Bonds3

About [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126434214) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126434214
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2ccc(-c3cccc([C@@H](C)O)c3)cc2)CC1
InChIInChI=1S/C21H23NO2/c1-15-10-12-22(13-11-15)21(24)18-8-6-17(7-9-18)20-5-3-4-19(14-20)16(2)23/h3-10,14,16,23H,11-13H2,1-2H3/t16-/m1/s1
InChIKeyFLYVOBBZDVPDDA-MRXNPFEDSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.20
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

N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide
CID 126432121
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 113352939
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
[3-[4-(1-hydroxyethyl)phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 119068135
[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 126441230
(2,6-dichloro-4-pyridinyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768420
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
(2S)-2-chloro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494250
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126427595

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126434214) is [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)c2ccc(-c3cccc([C@@H](C)O)c3)cc2)CC1.
What is the InChIKey of [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is FLYVOBBZDVPDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-10-12-22(13-11-15)21(24)18-8-6-17(7-9-18)20-5-3-4-19(14-20)16(2)23/h3-10,14,16,23H,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126434214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).