N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline

C15H23N3O3 — CID 106641581

IUPACN-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-17(11-12-7-4-5-10-16-12)13-8-6-9-14(21-2)15(13)18(19)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyRFNQUYMKDIVJSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline

N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641581) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641581
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-17(11-12-7-4-5-10-16-12)13-8-6-9-14(21-2)15(13)18(19)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyRFNQUYMKDIVJSW-UHFFFAOYSA-N
XLogP2.57
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
5-chloro-N-ethyl-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619287
4-bromo-N-ethyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641602
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163
N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642155
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902
N-ethyl-3-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641910
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106641581) is N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline is CCN(CC1CCCCN1)c1cccc(OC)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is RFNQUYMKDIVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17(11-12-7-4-5-10-16-12)13-8-6-9-14(21-2)15(13)18(19)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline?
N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 293.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).