(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol

C18H22N2O2 — CID 11991296

IUPAC(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol
SMILESCOc1ccccc1C(O)c1ccncc1[C@@H]1CCCN1C
InChIInChI=1S/C18H22N2O2/c1-20-11-5-7-16(20)15-12-19-10-9-13(15)18(21)14-6-3-4-8-17(14)22-2/h3-4,6,8-10,12,16,18,21H,5,7,11H2,1-2H3/t16-,18?/m0/s1
InChIKeyVIXBNSAFPVYTKY-ATNAJCNCSA-N
MW298.39 g/mol
LogP2.94
Rot. Bonds4

About (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol

(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol (PubChem CID 11991296) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol
PubChem CID11991296
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol
SMILESCOc1ccccc1C(O)c1ccncc1[C@@H]1CCCN1C
InChIInChI=1S/C18H22N2O2/c1-20-11-5-7-16(20)15-12-19-10-9-13(15)18(21)14-6-3-4-8-17(14)22-2/h3-4,6,8-10,12,16,18,21H,5,7,11H2,1-2H3/t16-,18?/m0/s1
InChIKeyVIXBNSAFPVYTKY-ATNAJCNCSA-N
XLogP2.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol?
The IUPAC name of (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol (CID 11991296) is (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol.
What is the SMILES notation for (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol?
The canonical SMILES for (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol is COc1ccccc1C(O)c1ccncc1[C@@H]1CCCN1C.
What is the InChIKey of (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol?
The InChIKey is VIXBNSAFPVYTKY-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-11-5-7-16(20)15-12-19-10-9-13(15)18(21)14-6-3-4-8-17(14)22-2/h3-4,6,8-10,12,16,18,21H,5,7,11H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol?
(2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol has a molecular weight of 298.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 11991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).