N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline

C14H20FN3O2 — CID 106641770

IUPACN-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O2/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(15)8-14(9-13)18(19)20/h7-9,12,16H,2-6,10H2,1H3
InChIKeyUBTDXFVNKGNMFM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline

N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641770) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641770
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCCN(CC1CCCCN1)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O2/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(15)8-14(9-13)18(19)20/h7-9,12,16H,2-6,10H2,1H3
InChIKeyUBTDXFVNKGNMFM-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-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641910
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
4-bromo-N-ethyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641602
3-fluoro-N-methyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607775
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-cyclohexyl-3-fluoro-N-methyl-5-nitroaniline
CID 80751704
N-ethyl-N-(3-fluoro-5-nitrophenyl)pyrrolidin-3-amine
CID 55205151
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106641770) is N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline is CCN(CC1CCCCN1)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is UBTDXFVNKGNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(15)8-14(9-13)18(19)20/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline?
N-ethyl-3-fluoro-5-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-5-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).