2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol

C14H22N4O3 — CID 83260152

IUPAC2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCc1cnc(N2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-11-9-15-13(8-12(11)18(20)21)17-6-4-16(5-7-17)10-14(2,3)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyKFNRILIPWZIANB-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol

2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol (PubChem CID 83260152) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol
PubChem CID83260152
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCc1cnc(N2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-11-9-15-13(8-12(11)18(20)21)17-6-4-16(5-7-17)10-14(2,3)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyKFNRILIPWZIANB-UHFFFAOYSA-N
XLogP1.19
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
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'}

Analyze 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanal
CID 87488643
1-[4-(6-chloro-4-nitro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103888583
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63938264
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133437109
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 115417048
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133329602
1-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 80823756
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol (CID 83260152) is 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol is Cc1cnc(N2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The InChIKey is KFNRILIPWZIANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-9-15-13(8-12(11)18(20)21)17-6-4-16(5-7-17)10-14(2,3)19/h8-9,19H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol has a molecular weight of 294.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 83260152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).