1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine

C14H21N3O3 — CID 167339797

IUPAC1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1
InChIInChI=1S/C14H21N3O3/c1-3-6-15-7-9-16(10-8-15)13-11-12(17(18)19)4-5-14(13)20-2/h4-5,11H,3,6-10H2,1-2H3
InChIKeyVZYYOZVCEYBSPO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine

1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine (PubChem CID 167339797) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine
PubChem CID167339797
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1
InChIInChI=1S/C14H21N3O3/c1-3-6-15-7-9-16(10-8-15)13-11-12(17(18)19)4-5-14(13)20-2/h4-5,11H,3,6-10H2,1-2H3
InChIKeyVZYYOZVCEYBSPO-UHFFFAOYSA-N
XLogP2.14
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

4-(2-methoxy-5-nitrophenyl)piperazine-1-carboxylic acid
CID 90110418
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
1-bromo-2-methoxy-4-nitrobenzene;1-ethyl-4-(2-methoxy-4-nitrophenyl)piperazine
CID 158670108
1-(2-fluorophenyl)-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine
CID 31628269
1-[3-[2-[(E)-2-(2-bromophenyl)ethenyl]-4-nitrophenoxy]propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 46219288
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 33397551
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
2-nitro-3-(4-propylpiperazin-1-yl)aniline
CID 80756430
1-[(2-methoxy-4-nitrophenyl)methyl]-4-methylpiperazine
CID 57421477
methyl 2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 3137785
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541318
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine (CID 167339797) is 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine is CCCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine?
The InChIKey is VZYYOZVCEYBSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-6-15-7-9-16(10-8-15)13-11-12(17(18)19)4-5-14(13)20-2/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine?
1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine has a molecular weight of 279.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine is sourced from PubChem (CID 167339797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).