2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline

C14H20ClN3O2 — CID 62085677

IUPAC2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
SMILESCC(CN1CCCCC1)Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20ClN3O2/c1-11(10-17-8-3-2-4-9-17)16-14-12(15)6-5-7-13(14)18(19)20/h5-7,11,16H,2-4,8-10H2,1H3
InChIKeyVJXGGJMAPHFFGF-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.53
Rot. Bonds5

About 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline

2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline (PubChem CID 62085677) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
PubChem CID62085677
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
SMILESCC(CN1CCCCC1)Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20ClN3O2/c1-11(10-17-8-3-2-4-9-17)16-14-12(15)6-5-7-13(14)18(19)20/h5-7,11,16H,2-4,8-10H2,1H3
InChIKeyVJXGGJMAPHFFGF-UHFFFAOYSA-N
XLogP3.53
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.53
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-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
CID 63541950
N-[(4-chloro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 115280933
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
2-nitro-3-N-(1-piperidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 80802240
2-chloro-6-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63540556
3-nitro-4-(1-piperidin-1-ylpropan-2-ylamino)benzaldehyde
CID 83105128
6-N-methyl-3-nitro-2-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2,6-diamine
CID 80783478
2-chloro-6-nitro-N-pent-1-yn-3-ylaniline
CID 106231232
3-nitro-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,6-diamine
CID 80800240
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
2-chloro-N-(3-methylbutyl)-6-nitroaniline
CID 62086211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline?
The IUPAC name of 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline (CID 62085677) is 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline?
The canonical SMILES for 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline is CC(CN1CCCCC1)Nc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline?
The InChIKey is VJXGGJMAPHFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11(10-17-8-3-2-4-9-17)16-14-12(15)6-5-7-13(14)18(19)20/h5-7,11,16H,2-4,8-10H2,1H3.
What are the key properties of 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline?
2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline has a molecular weight of 297.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline is sourced from PubChem (CID 62085677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).