1-(4-nitrophenyl)piperidin-4-amine

C11H15N3O2 — CID 12050747

IUPAC1-(4-nitrophenyl)piperidin-4-amine
SMILESNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C11H15N3O2/c12-9-5-7-13(8-6-9)10-1-3-11(4-2-10)14(15)16/h1-4,9H,5-8,12H2
InChIKeyFTJJBIBQTZJMQF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-nitrophenyl)piperidin-4-amine

1-(4-nitrophenyl)piperidin-4-amine (PubChem CID 12050747) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)piperidin-4-amine
PubChem CID12050747
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(4-nitrophenyl)piperidin-4-amine
SMILESNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C11H15N3O2/c12-9-5-7-13(8-6-9)10-1-3-11(4-2-10)14(15)16/h1-4,9H,5-8,12H2
InChIKeyFTJJBIBQTZJMQF-UHFFFAOYSA-N
XLogP1.52
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-aminophenyl)-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 159183321
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
5-(4-aminopiperidin-1-yl)-2-nitrobenzonitrile
CID 115500461
3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 81459759
1-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437
N-methyl-4-nitro-N-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]aniline
CID 144902442
1-(4-nitrophenyl)-4-propylazepane
CID 163444919
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-(4-nitrophenyl)piperidin-4-amine (CID 12050747) is 1-(4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-nitrophenyl)piperidin-4-amine is NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-(4-nitrophenyl)piperidin-4-amine?
The InChIKey is FTJJBIBQTZJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-5-7-13(8-6-9)10-1-3-11(4-2-10)14(15)16/h1-4,9H,5-8,12H2.
What are the key properties of 1-(4-nitrophenyl)piperidin-4-amine?
1-(4-nitrophenyl)piperidin-4-amine has a molecular weight of 221.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 12050747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).