1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine

C14H23N5O2 — CID 62244541

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-13(16-15)14(9-11)19(20)21/h3-4,9,12,16H,5-8,10,15H2,1-2H3
InChIKeyIOKMIFQZHLSAEX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.41
Rot. Bonds5

About 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine

1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 62244541) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID62244541
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-13(16-15)14(9-11)19(20)21/h3-4,9,12,16H,5-8,10,15H2,1-2H3
InChIKeyIOKMIFQZHLSAEX-UHFFFAOYSA-N
XLogP1.41
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62247043
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769614

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 62244541) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is IOKMIFQZHLSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-13(16-15)14(9-11)19(20)21/h3-4,9,12,16H,5-8,10,15H2,1-2H3.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 62244541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).