1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine

C14H19N3O2 — CID 175493858

IUPAC1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine
SMILESCN1CCN(C2CC2c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O2/c1-15-6-8-16(9-7-15)14-10-13(14)11-2-4-12(5-3-11)17(18)19/h2-5,13-14H,6-10H2,1H3
InChIKeyKTHZOTUYLMHTKV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine

1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine (PubChem CID 175493858) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine
PubChem CID175493858
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine
SMILESCN1CCN(C2CC2c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O2/c1-15-6-8-16(9-7-15)14-10-13(14)11-2-4-12(5-3-11)17(18)19/h2-5,13-14H,6-10H2,1H3
InChIKeyKTHZOTUYLMHTKV-UHFFFAOYSA-N
XLogP1.70
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
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-methyl-10-nitro-7-(4-nitrophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 13457926
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-nitrophenyl)piperazine
CID 98109734
1,2,2-trimethyl-3-(4-nitrophenyl)aziridine
CID 162398179
(2S)-1-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)propan-1-one
CID 894794
2-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)ethanamine
CID 82042594
2-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)prop-2-en-1-ol
CID 162683126
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
1-methyl-4-(4-nitrophenyl)sulfanylpiperidine
CID 10800812
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 7325644
1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine
CID 1107115
7,14-bis(4-nitrophenyl)-4λ6,11λ6-dithia-1,8-diazatetracyclo[6.6.0.02,6.09,13]tetradecane 4,4,11,11-tetraoxide
CID 10995070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine (CID 175493858) is 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine is CN1CCN(C2CC2c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine?
The InChIKey is KTHZOTUYLMHTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-6-8-16(9-7-15)14-10-13(14)11-2-4-12(5-3-11)17(18)19/h2-5,13-14H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine?
1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine has a molecular weight of 261.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine is sourced from PubChem (CID 175493858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).