2-nitro-N-(2-piperidin-1-ylpropyl)aniline

C14H21N3O2 — CID 61018070

IUPAC2-nitro-N-(2-piperidin-1-ylpropyl)aniline
SMILESCC(CNc1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-12(16-9-5-2-6-10-16)11-15-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyBPWDRBCRGSKOFK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.88
Rot. Bonds5

About 2-nitro-N-(2-piperidin-1-ylpropyl)aniline

2-nitro-N-(2-piperidin-1-ylpropyl)aniline (PubChem CID 61018070) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-nitro-N-(2-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-nitro-N-(2-piperidin-1-ylpropyl)aniline
PubChem CID61018070
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-nitro-N-(2-piperidin-1-ylpropyl)aniline
SMILESCC(CNc1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-12(16-9-5-2-6-10-16)11-15-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyBPWDRBCRGSKOFK-UHFFFAOYSA-N
XLogP2.88
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.88
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-ethylpiperazin-1-yl)propyl]-2-nitroaniline
CID 60505922
2,4-dinitro-N-(2-pyrrolidin-1-ylpropyl)aniline
CID 112726808
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
4-nitro-3-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 82992140
3-nitro-4-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 112726814
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
4-methyl-3-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 62912812
5-bromo-4-fluoro-2-nitro-N-(2-pyrrolidin-1-ylpropyl)aniline
CID 116737259
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
2-nitro-5-(2-pyrrolidin-1-ylpropylamino)benzonitrile
CID 115500440
N-(2-methyl-3-methylsulfanylpropyl)-2-nitroaniline
CID 63967008
2-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 60658869

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-piperidin-1-ylpropyl)aniline?
The IUPAC name of 2-nitro-N-(2-piperidin-1-ylpropyl)aniline (CID 61018070) is 2-nitro-N-(2-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-nitro-N-(2-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 2-nitro-N-(2-piperidin-1-ylpropyl)aniline is CC(CNc1ccccc1[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of 2-nitro-N-(2-piperidin-1-ylpropyl)aniline?
The InChIKey is BPWDRBCRGSKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(16-9-5-2-6-10-16)11-15-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3.
What are the key properties of 2-nitro-N-(2-piperidin-1-ylpropyl)aniline?
2-nitro-N-(2-piperidin-1-ylpropyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 61018070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).