[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol

C22H25N3O — CID 56739908

IUPAC[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C22H25N3O/c1-17-7-2-3-8-18(17)13-22(16-26)11-6-12-25(15-22)21-14-23-19-9-4-5-10-20(19)24-21/h2-5,7-10,14,26H,6,11-13,15-16H2,1H3
InChIKeyJOHSNQFEUBEHHT-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.76
Rot. Bonds4

About [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol

[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol (PubChem CID 56739908) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
PubChem CID56739908
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C22H25N3O/c1-17-7-2-3-8-18(17)13-22(16-26)11-6-12-25(15-22)21-14-23-19-9-4-5-10-20(19)24-21/h2-5,7-10,14,26H,6,11-13,15-16H2,1H3
InChIKeyJOHSNQFEUBEHHT-UHFFFAOYSA-N
XLogP3.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol (CID 56739908) is [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol is Cc1ccccc1CC1(CO)CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The InChIKey is JOHSNQFEUBEHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-7-2-3-8-18(17)13-22(16-26)11-6-12-25(15-22)21-14-23-19-9-4-5-10-20(19)24-21/h2-5,7-10,14,26H,6,11-13,15-16H2,1H3.
What are the key properties of [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 56739908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).