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

C20H26N4O — CID 70121624

IUPAC10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
SMILESCN1CCN(CCCN2c3ccccc3Oc3cc(N)ccc32)CC1
InChIInChI=1S/C20H26N4O/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-15-16(21)7-8-18(20)24/h2-3,5-8,15H,4,9-14,21H2,1H3
InChIKeyCQNYXTNPJLSTER-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.15
Rot. Bonds4

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

10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine (PubChem CID 70121624) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine.

Molecular Properties

Compound Name10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
PubChem CID70121624
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
SMILESCN1CCN(CCCN2c3ccccc3Oc3cc(N)ccc32)CC1
InChIInChI=1S/C20H26N4O/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-15-16(21)7-8-18(20)24/h2-3,5-8,15H,4,9-14,21H2,1H3
InChIKeyCQNYXTNPJLSTER-UHFFFAOYSA-N
XLogP3.15
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine?
The IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine (CID 70121624) is 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine.
What is the SMILES notation for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine?
The canonical SMILES for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine is CN1CCN(CCCN2c3ccccc3Oc3cc(N)ccc32)CC1.
What is the InChIKey of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine?
The InChIKey is CQNYXTNPJLSTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-15-16(21)7-8-18(20)24/h2-3,5-8,15H,4,9-14,21H2,1H3.
What are the key properties of 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine?
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine has a molecular weight of 338.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine is sourced from PubChem (CID 70121624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).