1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine

C18H22FN5O — CID 89080365

IUPAC1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
SMILESCN1CCN(ONCN2c3ccccc3Nc3ccc(F)cc32)CC1
InChIInChI=1S/C18H22FN5O/c1-22-8-10-23(11-9-22)25-20-13-24-17-5-3-2-4-15(17)21-16-7-6-14(19)12-18(16)24/h2-7,12,20-21H,8-11,13H2,1H3
InChIKeyGAAXGTPZFNNPKW-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine

1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine (PubChem CID 89080365) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine.

Molecular Properties

Compound Name1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
PubChem CID89080365
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
SMILESCN1CCN(ONCN2c3ccccc3Nc3ccc(F)cc32)CC1
InChIInChI=1S/C18H22FN5O/c1-22-8-10-23(11-9-22)25-20-13-24-17-5-3-2-4-15(17)21-16-7-6-14(19)12-18(16)24/h2-7,12,20-21H,8-11,13H2,1H3
InChIKeyGAAXGTPZFNNPKW-UHFFFAOYSA-N
XLogP2.66
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The IUPAC name of 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine (CID 89080365) is 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine.
What is the SMILES notation for 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The canonical SMILES for 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine is CN1CCN(ONCN2c3ccccc3Nc3ccc(F)cc32)CC1.
What is the InChIKey of 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The InChIKey is GAAXGTPZFNNPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-22-8-10-23(11-9-22)25-20-13-24-17-5-3-2-4-15(17)21-16-7-6-14(19)12-18(16)24/h2-7,12,20-21H,8-11,13H2,1H3.
What are the key properties of 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine has a molecular weight of 343.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine is sourced from PubChem (CID 89080365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).