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

C14H20FN3O2 — CID 106641710

IUPACN-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O2/c1-2-17(10-11-6-3-4-9-16-11)13-8-5-7-12(15)14(13)18(19)20/h5,7-8,11,16H,2-4,6,9-10H2,1H3
InChIKeyPZHDIAZAKOCEHF-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.70
Rot. Bonds5

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

N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641710) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641710
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O2/c1-2-17(10-11-6-3-4-9-16-11)13-8-5-7-12(15)14(13)18(19)20/h5,7-8,11,16H,2-4,6,9-10H2,1H3
InChIKeyPZHDIAZAKOCEHF-UHFFFAOYSA-N
XLogP2.70
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.70
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-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641581
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
4-bromo-N-ethyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641602
5-chloro-N-ethyl-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619287
N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641770
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
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-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
N-ethyl-3-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106641710) is N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline is CCN(CC1CCCCN1)c1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is PZHDIAZAKOCEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-17(10-11-6-3-4-9-16-11)13-8-5-7-12(15)14(13)18(19)20/h5,7-8,11,16H,2-4,6,9-10H2,1H3.
What are the key properties of N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 281.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).