N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline

C14H23N5O2 — CID 80902144

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
SMILESCCN1CCC(CNc2cc(NN)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-18-5-3-11(4-6-18)10-16-12-7-13(17-15)9-14(8-12)19(20)21/h7-9,11,16-17H,2-6,10,15H2,1H3
InChIKeyMYPPRLKKBNVGLL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.02
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline

N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline (PubChem CID 80902144) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
PubChem CID80902144
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
SMILESCCN1CCC(CNc2cc(NN)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-18-5-3-11(4-6-18)10-16-12-7-13(17-15)9-14(8-12)19(20)21/h7-9,11,16-17H,2-6,10,15H2,1H3
InChIKeyMYPPRLKKBNVGLL-UHFFFAOYSA-N
XLogP2.02
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
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

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80898853
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
1-(1-ethylpiperidin-4-yl)-N-[(3-fluoro-5-nitrophenyl)methyl]methanamine
CID 115980412
N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901669
N-(cyclobutylmethyl)-3-fluoro-5-nitroaniline
CID 60876882
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773
3-ethoxy-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 80731706
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
1-N-ethyl-5-nitro-3-N-(thiolan-3-ylmethyl)benzene-1,3-diamine
CID 107298734

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline (CID 80902144) is N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline is CCN1CCC(CNc2cc(NN)cc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline?
The InChIKey is MYPPRLKKBNVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-18-5-3-11(4-6-18)10-16-12-7-13(17-15)9-14(8-12)19(20)21/h7-9,11,16-17H,2-6,10,15H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline?
N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline has a molecular weight of 293.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80902144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).