2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline

C15H23N3O2 — CID 43718443

IUPAC2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C15H23N3O2/c1-11-6-7-14(18(19)20)9-15(11)16-12(2)13-5-4-8-17(3)10-13/h6-7,9,12-13,16H,4-5,8,10H2,1-3H3
InChIKeyGYUDQYDYYBNSBY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline

2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline (PubChem CID 43718443) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
PubChem CID43718443
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C15H23N3O2/c1-11-6-7-14(18(19)20)9-15(11)16-12(2)13-5-4-8-17(3)10-13/h6-7,9,12-13,16H,4-5,8,10H2,1-3H3
InChIKeyGYUDQYDYYBNSBY-UHFFFAOYSA-N
XLogP3.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.05
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

1-methyl-N-(2-methyl-5-nitrophenyl)piperidin-3-amine
CID 62590133
5-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 115912433
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 43717733
2,4-difluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]-6-nitroaniline
CID 81305186
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 114516044
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]-5-nitroaniline
CID 43718517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline (CID 43718443) is 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline is Cc1ccc([N+](=O)[O-])cc1NC(C)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline?
The InChIKey is GYUDQYDYYBNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-7-14(18(19)20)9-15(11)16-12(2)13-5-4-8-17(3)10-13/h6-7,9,12-13,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline?
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline has a molecular weight of 277.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline is sourced from PubChem (CID 43718443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).