3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine

C15H23N3O2 — CID 81456943

IUPAC3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2cccc([N+](=O)[O-])c2)CCC1N
InChIInChI=1S/C15H23N3O2/c1-3-12-10-17(8-7-15(12)16)11(2)13-5-4-6-14(9-13)18(19)20/h4-6,9,11-12,15H,3,7-8,10,16H2,1-2H3
InChIKeyNYTGZHXDQPRIBR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.71
Rot. Bonds4

About 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine

3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine (PubChem CID 81456943) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
PubChem CID81456943
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2cccc([N+](=O)[O-])c2)CCC1N
InChIInChI=1S/C15H23N3O2/c1-3-12-10-17(8-7-15(12)16)11(2)13-5-4-6-14(9-13)18(19)20/h4-6,9,11-12,15H,3,7-8,10,16H2,1-2H3
InChIKeyNYTGZHXDQPRIBR-UHFFFAOYSA-N
XLogP2.71
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.71
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

1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 79880151
3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
CID 81460791
3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 81459759
1-(3-nitrophenyl)butan-1-amine
CID 43200371
1-[1-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141
3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81457622

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine (CID 81456943) is 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine is CCC1CN(C(C)c2cccc([N+](=O)[O-])c2)CCC1N.
What is the InChIKey of 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine?
The InChIKey is NYTGZHXDQPRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-10-17(8-7-15(12)16)11(2)13-5-4-6-14(9-13)18(19)20/h4-6,9,11-12,15H,3,7-8,10,16H2,1-2H3.
What are the key properties of 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine?
3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81456943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).