[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol

C21H22ClN3O — CID 56752619

IUPAC[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H22ClN3O/c22-17-6-2-1-5-16(17)13-21(15-26)9-11-25(12-10-21)20-14-23-18-7-3-4-8-19(18)24-20/h1-8,14,26H,9-13,15H2
InChIKeyOUKGBPGTORTRLO-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.10
Rot. Bonds4

About [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol (PubChem CID 56752619) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
PubChem CID56752619
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H22ClN3O/c22-17-6-2-1-5-16(17)13-21(15-26)9-11-25(12-10-21)20-14-23-18-7-3-4-8-19(18)24-20/h1-8,14,26H,9-13,15H2
InChIKeyOUKGBPGTORTRLO-UHFFFAOYSA-N
XLogP4.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol (CID 56752619) is [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol is OCC1(Cc2ccccc2Cl)CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The InChIKey is OUKGBPGTORTRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-17-6-2-1-5-16(17)13-21(15-26)9-11-25(12-10-21)20-14-23-18-7-3-4-8-19(18)24-20/h1-8,14,26H,9-13,15H2.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol has a molecular weight of 367.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 56752619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).