1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

C17H26N4O3 — CID 56777249

IUPAC1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
InChIKeyHNYSXOZEEKWPNM-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.82
Rot. Bonds4

About 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 56777249) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
PubChem CID56777249
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
InChIKeyHNYSXOZEEKWPNM-UHFFFAOYSA-N
XLogP1.82
TPSA62.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.82
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-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine (CID 56777249) is 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine is COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is HNYSXOZEEKWPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 334.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 56777249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).