[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine

C15H24N4O2 — CID 83045221

IUPAC[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
SMILESCCCC1CCCCN1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-14(17-16)15(10-12)19(20)21/h7-8,10,13,17H,2-6,9,11,16H2,1H3
InChIKeyXRLFRAMYEFHNKI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.04
Rot. Bonds6

About [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine

[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine (PubChem CID 83045221) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
PubChem CID83045221
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
SMILESCCCC1CCCCN1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-14(17-16)15(10-12)19(20)21/h7-8,10,13,17H,2-6,9,11,16H2,1H3
InChIKeyXRLFRAMYEFHNKI-UHFFFAOYSA-N
XLogP3.04
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
CID 62184446
[1-[[4-(ethylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208428
[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
4-[(2-ethylpyrrolidin-1-yl)methyl]-2-nitro-N-propylaniline
CID 62177327
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine?
The IUPAC name of [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine (CID 83045221) is [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine is CCCC1CCCCN1Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine?
The InChIKey is XRLFRAMYEFHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-14(17-16)15(10-12)19(20)21/h7-8,10,13,17H,2-6,9,11,16H2,1H3.
What are the key properties of [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine?
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine has a molecular weight of 292.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine is sourced from PubChem (CID 83045221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).