1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine

C16H24N4O2 — CID 2885704

IUPAC1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1
InChIInChI=1S/C16H24N4O2/c1-17-9-11-18(12-10-17)14-5-6-15(20(21)22)16(13-14)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyRKFTZIAMCCNALR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine

1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine (PubChem CID 2885704) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine
PubChem CID2885704
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1
InChIInChI=1S/C16H24N4O2/c1-17-9-11-18(12-10-17)14-5-6-15(20(21)22)16(13-14)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyRKFTZIAMCCNALR-UHFFFAOYSA-N
XLogP2.34
TPSA52.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The IUPAC name of 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine (CID 2885704) is 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine is CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1.
What is the InChIKey of 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The InChIKey is RKFTZIAMCCNALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-17-9-11-18(12-10-17)14-5-6-15(20(21)22)16(13-14)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine has a molecular weight of 304.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine is sourced from PubChem (CID 2885704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).