(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol

C19H27NO3 — CID 10734278

IUPAC(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
SMILESC[C@H]1C=CC[C@H](CCC2OCCO2)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-15-6-5-9-17(10-11-19-22-12-13-23-19)20(15)18(14-21)16-7-3-2-4-8-16/h2-8,15,17-19,21H,9-14H2,1H3/t15-,17+,18-/m0/s1
InChIKeyHCWFEQBSFZBOPC-JQHSSLGASA-N
MW317.43 g/mol
LogP2.89
Rot. Bonds6

About (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol

(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol (PubChem CID 10734278) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
PubChem CID10734278
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
SMILESC[C@H]1C=CC[C@H](CCC2OCCO2)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-15-6-5-9-17(10-11-19-22-12-13-23-19)20(15)18(14-21)16-7-3-2-4-8-16/h2-8,15,17-19,21H,9-14H2,1H3/t15-,17+,18-/m0/s1
InChIKeyHCWFEQBSFZBOPC-JQHSSLGASA-N
XLogP2.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(6R)-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
CID 10680302
(3aS,6S,7S,7aR)-6-[2-(1,3-dioxolan-2-yl)ethyl]-5-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
CID 11025630
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
(1S)-1-[2-(1,3-dioxan-2-yl)ethyl]-2-[(1R)-2-hydroxy-1-phenylethyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one
CID 46918620
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
CID 10776787
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
(2S)-2-[(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidin-1-yl]-2-phenylethanol;hydrochloride
CID 44598298
(2R)-2-[(2R,5S)-2,5-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-1-yl]-2-phenylethanol
CID 71625811
methyl 2-[(2S,5R)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-(2-methoxy-2-oxoethyl)pyrrolidin-2-yl]acetate
CID 101453198
2-(1-phenylpropyl)-1,3-dioxolane
CID 14365156
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol (CID 10734278) is (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol is C[C@H]1C=CC[C@H](CCC2OCCO2)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol?
The InChIKey is HCWFEQBSFZBOPC-JQHSSLGASA-N. The full InChI is InChI=1S/C19H27NO3/c1-15-6-5-9-17(10-11-19-22-12-13-23-19)20(15)18(14-21)16-7-3-2-4-8-16/h2-8,15,17-19,21H,9-14H2,1H3/t15-,17+,18-/m0/s1.
What are the key properties of (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol?
(2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol has a molecular weight of 317.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,6S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10734278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).