1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine

C14H20FN3O3 — CID 95152202

IUPAC1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine
SMILESCOC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C14H20FN3O3/c1-11(10-21-2)16-5-7-17(8-6-16)14-4-3-12(18(19)20)9-13(14)15/h3-4,9,11H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyCRTZLULVRDUXME-LLVKDONJSA-N
MW297.33 g/mol
LogP1.89
Rot. Bonds5

About 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine

1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine (PubChem CID 95152202) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine
PubChem CID95152202
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine
SMILESCOC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C14H20FN3O3/c1-11(10-21-2)16-5-7-17(8-6-16)14-4-3-12(18(19)20)9-13(14)15/h3-4,9,11H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyCRTZLULVRDUXME-LLVKDONJSA-N
XLogP1.89
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine 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-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]butanenitrile
CID 63344065
(2S)-1-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66712296
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 3763781
[2-(4-butan-2-ylpiperazin-1-yl)-5-nitrophenyl]methanol
CID 62774427
3-(dimethoxymethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidine
CID 176705419
1-(3-fluoro-4-methoxyphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]piperazine
CID 133348234
1-but-3-ynyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 47464030
N,N-diethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 58157308
N-ethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 25152076
2-fluoro-6-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]benzonitrile
CID 95339349

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine (CID 95152202) is 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine is COC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The InChIKey is CRTZLULVRDUXME-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-11(10-21-2)16-5-7-17(8-6-16)14-4-3-12(18(19)20)9-13(14)15/h3-4,9,11H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine?
1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine has a molecular weight of 297.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine is sourced from PubChem (CID 95152202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).