1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine

C15H23N3O2 — CID 61219668

IUPAC1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-17-11-8-14(9-12-17)16-10-7-13-3-5-15(6-4-13)18(19)20/h3-6,14,16H,2,7-12H2,1H3
InChIKeyBPOQONDBSJPIOT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.21
Rot. Bonds6

About 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine

1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine (PubChem CID 61219668) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
PubChem CID61219668
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-17-11-8-14(9-12-17)16-10-7-13-3-5-15(6-4-13)18(19)20/h3-6,14,16H,2,7-12H2,1H3
InChIKeyBPOQONDBSJPIOT-UHFFFAOYSA-N
XLogP2.21
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
N-[2-(4-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64921989
N-[2-(4-nitrophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63923818
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine (CID 61219668) is 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine is CCN1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
The InChIKey is BPOQONDBSJPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17-11-8-14(9-12-17)16-10-7-13-3-5-15(6-4-13)18(19)20/h3-6,14,16H,2,7-12H2,1H3.
What are the key properties of 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine?
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 61219668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).