1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine

C14H19N3O2 — CID 22345192

IUPAC1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H19N3O2/c1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)14(11-13)17(18)19/h3-5,11H,1,6-10H2,2H3
InChIKeyFVMLADHRGCMUKZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine

1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine (PubChem CID 22345192) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine
PubChem CID22345192
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H19N3O2/c1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)14(11-13)17(18)19/h3-5,11H,1,6-10H2,2H3
InChIKeyFVMLADHRGCMUKZ-UHFFFAOYSA-N
XLogP2.21
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
N-(cyclopropylmethyl)-1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 115307590
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
1-(4-chloro-3-nitrophenyl)-4-propylpiperazine
CID 22345152
1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
CID 165348222
5-(4-ethylpiperazin-1-yl)-2-nitroaniline
CID 59845904
4-(4-ethylpiperazin-1-yl)-2-nitrobenzoic acid;hydrochloride
CID 129186311
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
4-[4-(2-methoxyethyl)piperazin-1-yl]-2-nitrobenzaldehyde
CID 86628216
1-(4-ethenyl-3-nitrophenyl)piperidine
CID 67906048
1-(4-methyl-3-nitrophenyl)pyrrole
CID 883573

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine (CID 22345192) is 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine is C=CCN1CCN(c2ccc(C)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine?
The InChIKey is FVMLADHRGCMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-6-15-7-9-16(10-8-15)13-5-4-12(2)14(11-13)17(18)19/h3-5,11H,1,6-10H2,2H3.
What are the key properties of 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine?
1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine has a molecular weight of 261.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 22345192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).