1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine

C14H23N5O2 — CID 80902402

IUPAC1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H23N5O2/c1-17(2)10-11-6-8-18(9-7-11)13-5-3-4-12(16-15)14(13)19(20)21/h3-5,11,16H,6-10,15H2,1-2H3
InChIKeyDOPXGHGKMJZGSS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.66
Rot. Bonds5

About 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 80902402) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID80902402
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H23N5O2/c1-17(2)10-11-6-8-18(9-7-11)13-5-3-4-12(16-15)14(13)19(20)21/h3-5,11,16H,6-10,15H2,1-2H3
InChIKeyDOPXGHGKMJZGSS-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80918182
[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
CID 80898807
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463
[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80931283
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
N,N-dimethyl-1-[3-(methylamino)-2-nitrophenyl]pyrrolidin-3-amine
CID 80828406

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 80902402) is 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cccc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is DOPXGHGKMJZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17(2)10-11-6-8-18(9-7-11)13-5-3-4-12(16-15)14(13)19(20)21/h3-5,11,16H,6-10,15H2,1-2H3.
What are the key properties of 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 293.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 80902402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).