N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine

C14H23N5O2 — CID 80901769

IUPACN-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-5-18-6-3-11(4-7-18)16-12-8-13(17-15)10-14(9-12)19(20)21/h8-11,16-17H,2-7,15H2,1H3
InChIKeyFNDDQPQEQNVZQA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.17
Rot. Bonds6

About N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine

N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine (PubChem CID 80901769) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
PubChem CID80901769
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-5-18-6-3-11(4-7-18)16-12-8-13(17-15)10-14(9-12)19(20)21/h8-11,16-17H,2-7,15H2,1H3
InChIKeyFNDDQPQEQNVZQA-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80902144
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80898853
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
2-nitro-5-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 115500253
N-(4,5-dimethyl-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62098256
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
CID 18095690
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113
N-[(3-bromo-5-nitrophenyl)methyl]-1-propylpiperidin-4-amine
CID 103350689
N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
CID 80914766
3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione
CID 80924745

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine (CID 80901769) is N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine?
The InChIKey is FNDDQPQEQNVZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-5-18-6-3-11(4-7-18)16-12-8-13(17-15)10-14(9-12)19(20)21/h8-11,16-17H,2-7,15H2,1H3.
What are the key properties of N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine?
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 80901769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).