[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol

C19H24N2O2 — CID 110203367

IUPAC[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1C
InChIInChI=1S/C19H24N2O2/c1-14-9-15(6-7-19(14)23-2)10-21-11-16(13-22)17(12-21)18-5-3-4-8-20-18/h3-9,16-17,22H,10-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyVAYDVBPRVKVHIQ-DLBZAZTESA-N
MW312.41 g/mol
LogP2.61
Rot. Bonds5

About [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol

[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 110203367) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
PubChem CID110203367
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1C
InChIInChI=1S/C19H24N2O2/c1-14-9-15(6-7-19(14)23-2)10-21-11-16(13-22)17(12-21)18-5-3-4-8-20-18/h3-9,16-17,22H,10-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyVAYDVBPRVKVHIQ-DLBZAZTESA-N
XLogP2.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol (CID 110203367) is [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol is COc1ccc(CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1C.
What is the InChIKey of [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is VAYDVBPRVKVHIQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-9-15(6-7-19(14)23-2)10-21-11-16(13-22)17(12-21)18-5-3-4-8-20-18/h3-9,16-17,22H,10-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
[(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 312.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 110203367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).