2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine

C10H19N3O2 — CID 175284417

IUPAC2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)C([N+](=O)[O-])N1
InChIInChI=1S/C10H19N3O2/c1-6(2)8-5-11-9(7-3-4-7)10(12-8)13(14)15/h6-12H,3-5H2,1-2H3
InChIKeyMTVDPZZKKHMWNS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.59
Rot. Bonds3

About 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine

2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine (PubChem CID 175284417) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine
PubChem CID175284417
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)C([N+](=O)[O-])N1
InChIInChI=1S/C10H19N3O2/c1-6(2)8-5-11-9(7-3-4-7)10(12-8)13(14)15/h6-12H,3-5H2,1-2H3
InChIKeyMTVDPZZKKHMWNS-UHFFFAOYSA-N
XLogP0.59
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-nitroimidazolidine
CID 19360746
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
CID 171423027
3-nitrobicyclo[3.2.0]heptane
CID 147227399
(2S,6S)-2,6-di(propan-2-yl)piperidine;methane
CID 157197776
(2S,4R)-2-(4-nitrophenyl)-4-propan-2-yl-1,3-oxazinane
CID 23660249
(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
CID 170903987
2-chloro-5-nitropyrrolidine
CID 140507784
2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64884454
6-propan-2-yl-5-azaspiro[2.5]octane
CID 169176157
4-methyl-2-nitro-1-propan-2-ylcyclohexane
CID 73030525
5-methyl-3-propan-2-yl-1,4-thiazepane 1-oxide
CID 79395664

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine (CID 175284417) is 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)C([N+](=O)[O-])N1.
What is the InChIKey of 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine?
The InChIKey is MTVDPZZKKHMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)8-5-11-9(7-3-4-7)10(12-8)13(14)15/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine?
2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine has a molecular weight of 213.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-nitro-5-propan-2-ylpiperazine is sourced from PubChem (CID 175284417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).