N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline

C15H20FN3O2 — CID 106641136

IUPACN-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)cc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H20FN3O2/c16-11-4-7-14(19(20)21)15(9-11)18(13-5-6-13)10-12-3-1-2-8-17-12/h4,7,9,12-13,17H,1-3,5-6,8,10H2
InChIKeyKVCVLESYBLFZML-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.84
Rot. Bonds5

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

N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641136) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641136
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)cc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H20FN3O2/c16-11-4-7-14(19(20)21)15(9-11)18(13-5-6-13)10-12-3-1-2-8-17-12/h4,7,9,12-13,17H,1-3,5-6,8,10H2
InChIKeyKVCVLESYBLFZML-UHFFFAOYSA-N
XLogP2.84
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.84
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

5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979143
N-[(5-fluoro-2-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614171
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641222
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163
2-(N-cyclopropyl-5-fluoro-2-nitroanilino)acetic acid
CID 55067678
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine
CID 106641007
N-cyclopropyl-4-fluoro-2-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643724

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106641136) is N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline is O=[N+]([O-])c1ccc(F)cc1N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is KVCVLESYBLFZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-11-4-7-14(19(20)21)15(9-11)18(13-5-6-13)10-12-3-1-2-8-17-12/h4,7,9,12-13,17H,1-3,5-6,8,10H2.
What are the key properties of N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline?
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 293.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).