2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline

C15H22ClN3O2 — CID 63541950

IUPAC2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
SMILESCC(CNc1c(Cl)cccc1[N+](=O)[O-])CN1CCCCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(11-18-8-3-2-4-9-18)10-17-15-13(16)6-5-7-14(15)19(20)21/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeySUEFDMKPHLXWTL-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.78
Rot. Bonds6

About 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline

2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline (PubChem CID 63541950) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
PubChem CID63541950
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
SMILESCC(CNc1c(Cl)cccc1[N+](=O)[O-])CN1CCCCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(11-18-8-3-2-4-9-18)10-17-15-13(16)6-5-7-14(15)19(20)21/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeySUEFDMKPHLXWTL-UHFFFAOYSA-N
XLogP3.78
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.78
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

2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
CID 62085677
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 60967018
4-iodo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 66065491
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 62994736
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-nitroaniline
CID 62992142
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide
CID 60557221
2-chloro-N-(3-methylbutyl)-6-nitroaniline
CID 62086211
N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-4-methylsulfonyl-2-nitroaniline
CID 51964340
2-chloro-6-nitro-N-(2-prop-2-enoxypropyl)aniline
CID 114264812
1-(2-chloro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153138
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline?
The IUPAC name of 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline (CID 63541950) is 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline?
The canonical SMILES for 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline is CC(CNc1c(Cl)cccc1[N+](=O)[O-])CN1CCCCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline?
The InChIKey is SUEFDMKPHLXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-12(11-18-8-3-2-4-9-18)10-17-15-13(16)6-5-7-14(15)19(20)21/h5-7,12,17H,2-4,8-11H2,1H3.
What are the key properties of 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline?
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline has a molecular weight of 311.81 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline is sourced from PubChem (CID 63541950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).