2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene

C21H24N2O — CID 29578

IUPAC2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
SMILESCN1CCCCC1COC1c2ccccc2C=Cc2ncccc21
InChIInChI=1S/C21H24N2O/c1-23-14-5-4-8-17(23)15-24-21-18-9-3-2-7-16(18)11-12-20-19(21)10-6-13-22-20/h2-3,6-7,9-13,17,21H,4-5,8,14-15H2,1H3
InChIKeyNQOHKTKQEOCHSM-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.16
Rot. Bonds3

About 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene

2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene (PubChem CID 29578) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
PubChem CID29578
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
SMILESCN1CCCCC1COC1c2ccccc2C=Cc2ncccc21
InChIInChI=1S/C21H24N2O/c1-23-14-5-4-8-17(23)15-24-21-18-9-3-2-7-16(18)11-12-20-19(21)10-6-13-22-20/h2-3,6-7,9-13,17,21H,4-5,8,14-15H2,1H3
InChIKeyNQOHKTKQEOCHSM-UHFFFAOYSA-N
XLogP4.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene (CID 29578) is 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene is CN1CCCCC1COC1c2ccccc2C=Cc2ncccc21.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene?
The InChIKey is NQOHKTKQEOCHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-14-5-4-8-17(23)15-24-21-18-9-3-2-7-16(18)11-12-20-19(21)10-6-13-22-20/h2-3,6-7,9-13,17,21H,4-5,8,14-15H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene?
2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene has a molecular weight of 320.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene is sourced from PubChem (CID 29578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).