10-(4-piperidin-1-ylbutyl)phenoxazine

C21H26N2O — CID 10358778

IUPAC10-(4-piperidin-1-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCCC1
InChIInChI=1S/C21H26N2O/c1-6-14-22(15-7-1)16-8-9-17-23-18-10-2-4-12-20(18)24-21-13-5-3-11-19(21)23/h2-5,10-13H,1,6-9,14-17H2
InChIKeyXDDPWSRZEGHLLH-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.20
Rot. Bonds5

About 10-(4-piperidin-1-ylbutyl)phenoxazine

10-(4-piperidin-1-ylbutyl)phenoxazine (PubChem CID 10358778) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 10-(4-piperidin-1-ylbutyl)phenoxazine.

Molecular Properties

Compound Name10-(4-piperidin-1-ylbutyl)phenoxazine
PubChem CID10358778
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name10-(4-piperidin-1-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCCC1
InChIInChI=1S/C21H26N2O/c1-6-14-22(15-7-1)16-8-9-17-23-18-10-2-4-12-20(18)24-21-13-5-3-11-19(21)23/h2-5,10-13H,1,6-9,14-17H2
InChIKeyXDDPWSRZEGHLLH-UHFFFAOYSA-N
XLogP5.20
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-piperidin-1-ylbutyl)phenoxazine?
The IUPAC name of 10-(4-piperidin-1-ylbutyl)phenoxazine (CID 10358778) is 10-(4-piperidin-1-ylbutyl)phenoxazine.
What is the SMILES notation for 10-(4-piperidin-1-ylbutyl)phenoxazine?
The canonical SMILES for 10-(4-piperidin-1-ylbutyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCCC1.
What is the InChIKey of 10-(4-piperidin-1-ylbutyl)phenoxazine?
The InChIKey is XDDPWSRZEGHLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-6-14-22(15-7-1)16-8-9-17-23-18-10-2-4-12-20(18)24-21-13-5-3-11-19(21)23/h2-5,10-13H,1,6-9,14-17H2.
What are the key properties of 10-(4-piperidin-1-ylbutyl)phenoxazine?
10-(4-piperidin-1-ylbutyl)phenoxazine has a molecular weight of 322.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-piperidin-1-ylbutyl)phenoxazine is sourced from PubChem (CID 10358778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).