2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline

C14H21N3O2 — CID 55248421

IUPAC2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NCCC1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-11-9-13(17(18)19)4-5-14(11)16-8-6-12-3-2-7-15-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3
InChIKeyOUAHCKYHEXKSEO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline

2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline (PubChem CID 55248421) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
PubChem CID55248421
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NCCC1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-11-9-13(17(18)19)4-5-14(11)16-8-6-12-3-2-7-15-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3
InChIKeyOUAHCKYHEXKSEO-UHFFFAOYSA-N
XLogP2.70
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

2,4-dinitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622156
N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
CID 63535583
2-chloro-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622331
2-iodo-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 66095966
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2,6-dimethyl-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979216
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
3-fluoro-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 63629259
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline?
The IUPAC name of 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline (CID 55248421) is 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline.
What is the SMILES notation for 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline?
The canonical SMILES for 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline is Cc1cc([N+](=O)[O-])ccc1NCCC1CCCNC1.
What is the InChIKey of 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline?
The InChIKey is OUAHCKYHEXKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-9-13(17(18)19)4-5-14(11)16-8-6-12-3-2-7-15-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3.
What are the key properties of 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline?
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 55248421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).