2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol

C22H29N3O2 — CID 4712778

IUPAC2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCN2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C22H29N3O2/c26-18-17-24-15-13-23(14-16-24)11-5-6-12-25-19-7-1-3-9-21(19)27-22-10-4-2-8-20(22)25/h1-4,7-10,26H,5-6,11-18H2
InChIKeyOTSPMDFTLZQWKE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.32
Rot. Bonds7

About 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol

2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol (PubChem CID 4712778) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol
PubChem CID4712778
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCN2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C22H29N3O2/c26-18-17-24-15-13-23(14-16-24)11-5-6-12-25-19-7-1-3-9-21(19)27-22-10-4-2-8-20(22)25/h1-4,7-10,26H,5-6,11-18H2
InChIKeyOTSPMDFTLZQWKE-UHFFFAOYSA-N
XLogP3.32
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol (CID 4712778) is 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol is OCCN1CCN(CCCCN2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol?
The InChIKey is OTSPMDFTLZQWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-18-17-24-15-13-23(14-16-24)11-5-6-12-25-19-7-1-3-9-21(19)27-22-10-4-2-8-20(22)25/h1-4,7-10,26H,5-6,11-18H2.
What are the key properties of 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol?
2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol has a molecular weight of 367.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 4712778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).