3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline

C15H23N3O3 — CID 102971672

IUPAC3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline
SMILESCCCNc1cc(N2CCCC(OC)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-3-6-16-12-8-13(10-14(9-12)18(19)20)17-7-4-5-15(11-17)21-2/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyHLNNONRIXKWMBG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.03
Rot. Bonds6

About 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline

3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline (PubChem CID 102971672) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline
PubChem CID102971672
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline
SMILESCCCNc1cc(N2CCCC(OC)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-3-6-16-12-8-13(10-14(9-12)18(19)20)17-7-4-5-15(11-17)21-2/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyHLNNONRIXKWMBG-UHFFFAOYSA-N
XLogP3.03
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4,4-dimethylpiperidin-1-yl)-5-nitro-N-propylaniline
CID 80808279
3-(2-methylpyrrolidin-1-yl)-5-nitro-N-propylaniline
CID 80791595
3-nitro-N-propyl-5-thiomorpholin-4-ylaniline
CID 80764613
4-[3-nitro-5-(propylamino)phenyl]-1,4-diazepan-2-one
CID 80827637
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
CID 113346471
1-(2-chloro-4-nitrophenyl)-3-methoxypiperidine
CID 174760958
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
CID 80817019
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline (CID 102971672) is 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline is CCCNc1cc(N2CCCC(OC)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline?
The InChIKey is HLNNONRIXKWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-6-16-12-8-13(10-14(9-12)18(19)20)17-7-4-5-15(11-17)21-2/h8-10,15-16H,3-7,11H2,1-2H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline?
3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline has a molecular weight of 293.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline is sourced from PubChem (CID 102971672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).