1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

C14H22N4O3 — CID 133329487

IUPAC1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCOCCN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1C
InChIInChI=1S/C14H22N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-4-16(6-7-21-3)12(2)10-17/h8-9,12H,4-7,10H2,1-3H3
InChIKeyCCMPXPQGZRVNHP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (PubChem CID 133329487) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
PubChem CID133329487
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCOCCN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1C
InChIInChI=1S/C14H22N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-4-16(6-7-21-3)12(2)10-17/h8-9,12H,4-7,10H2,1-3H3
InChIKeyCCMPXPQGZRVNHP-UHFFFAOYSA-N
XLogP1.46
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (CID 133329487) is 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is COCCN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The InChIKey is CCMPXPQGZRVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-4-16(6-7-21-3)12(2)10-17/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine has a molecular weight of 294.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 133329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).