1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine

C17H25N3O3 — CID 71145229

IUPAC1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H25N3O3/c1-23-15-7-8-16(17(13-15)20(21)22)19-11-9-18(10-12-19)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyLFZSLXGECSBKOW-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine

1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine (PubChem CID 71145229) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
PubChem CID71145229
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H25N3O3/c1-23-15-7-8-16(17(13-15)20(21)22)19-11-9-18(10-12-19)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyLFZSLXGECSBKOW-UHFFFAOYSA-N
XLogP3.06
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
CID 71155640
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
(3S,5R)-1-(4-methoxy-2-nitrophenyl)-3,5-dimethylpiperidine
CID 99966439
(3aR,7aS)-2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98364921
(3R)-3-(azepan-1-yl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione
CID 7310714
1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124556
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141
[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 3943930
4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46291817
(4-fluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2960844
N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 17314124
(4-tert-butylphenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2952451

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine (CID 71145229) is 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine is COc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine?
The InChIKey is LFZSLXGECSBKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-7-8-16(17(13-15)20(21)22)19-11-9-18(10-12-19)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine?
1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine has a molecular weight of 319.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine is sourced from PubChem (CID 71145229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).