10-(3-piperidin-1-ylpropyl)phenoxazine

C20H24N2O — CID 3024456

IUPAC10-(3-piperidin-1-ylpropyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCN1CCCCC1
InChIInChI=1S/C20H24N2O/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12H,1,6-8,13-16H2
InChIKeyVIOXGDDWUXTAJH-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.81
Rot. Bonds4

About 10-(3-piperidin-1-ylpropyl)phenoxazine

10-(3-piperidin-1-ylpropyl)phenoxazine (PubChem CID 3024456) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 10-(3-piperidin-1-ylpropyl)phenoxazine.

Molecular Properties

Compound Name10-(3-piperidin-1-ylpropyl)phenoxazine
PubChem CID3024456
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name10-(3-piperidin-1-ylpropyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCN1CCCCC1
InChIInChI=1S/C20H24N2O/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12H,1,6-8,13-16H2
InChIKeyVIOXGDDWUXTAJH-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-piperidin-1-ylpropyl)phenoxazine?
The IUPAC name of 10-(3-piperidin-1-ylpropyl)phenoxazine (CID 3024456) is 10-(3-piperidin-1-ylpropyl)phenoxazine.
What is the SMILES notation for 10-(3-piperidin-1-ylpropyl)phenoxazine?
The canonical SMILES for 10-(3-piperidin-1-ylpropyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCCN1CCCCC1.
What is the InChIKey of 10-(3-piperidin-1-ylpropyl)phenoxazine?
The InChIKey is VIOXGDDWUXTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12H,1,6-8,13-16H2.
What are the key properties of 10-(3-piperidin-1-ylpropyl)phenoxazine?
10-(3-piperidin-1-ylpropyl)phenoxazine has a molecular weight of 308.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-piperidin-1-ylpropyl)phenoxazine is sourced from PubChem (CID 3024456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).