1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine

C13H20N4O2 — CID 165448313

IUPAC1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESCC(C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-11(2)10-15-6-8-16(9-7-15)13-12(17(18)19)4-3-5-14-13/h3-5,11H,6-10H2,1-2H3
InChIKeyMHHLQHFBOMCVNQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine

1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine (PubChem CID 165448313) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
PubChem CID165448313
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESCC(C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-11(2)10-15-6-8-16(9-7-15)13-12(17(18)19)4-3-5-14-13/h3-5,11H,6-10H2,1-2H3
InChIKeyMHHLQHFBOMCVNQ-UHFFFAOYSA-N
XLogP1.77
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.77
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

1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
CID 174454326
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
3-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 43522294
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 55116545
2-amino-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61260513
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395
1-[(2-fluorophenyl)methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 9109597
2-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]acetic acid
CID 62823957
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 95309066
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
1-(bromomethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 83084840
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine (CID 165448313) is 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine is CC(C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is MHHLQHFBOMCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-11(2)10-15-6-8-16(9-7-15)13-12(17(18)19)4-3-5-14-13/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine?
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 264.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 165448313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).