10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine

C20H25N3O — CID 59372977

IUPAC10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
SMILESCN1CCN(CCCN2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H25N3O/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKeyIJLAVKOTTKGHGU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.57
Rot. Bonds4

About 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine

10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine (PubChem CID 59372977) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
PubChem CID59372977
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
SMILESCN1CCN(CCCN2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H25N3O/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKeyIJLAVKOTTKGHGU-UHFFFAOYSA-N
XLogP3.57
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methylpiperazin-1-yl)propyl]phenoxazine?
The IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine (CID 59372977) is 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine.
What is the SMILES notation for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine?
The canonical SMILES for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine is CN1CCN(CCCN2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine?
The InChIKey is IJLAVKOTTKGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3.
What are the key properties of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine?
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine has a molecular weight of 323.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine is sourced from PubChem (CID 59372977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).