1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine

C13H14FN5O2 — CID 75398503

IUPAC1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-1-2-12(13(9-10)19(20)21)17-6-3-11(4-7-17)18-8-5-15-16-18/h1-2,5,8-9,11H,3-4,6-7H2
InChIKeyWZYCCUZNVJEQTC-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine

1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine (PubChem CID 75398503) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
PubChem CID75398503
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-1-2-12(13(9-10)19(20)21)17-6-3-11(4-7-17)18-8-5-15-16-18/h1-2,5,8-9,11H,3-4,6-7H2
InChIKeyWZYCCUZNVJEQTC-UHFFFAOYSA-N
XLogP2.17
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-nitro-3-(trifluoromethyl)phenyl]-4-(triazol-1-yl)piperidine
CID 133455677
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133455662
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-(3-fluoro-5-methoxy-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 133455633
[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]methanesulfonamide
CID 56805189
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(azetidin-3-yl)-4-(4-fluoro-2-nitrophenyl)piperazine
CID 66203741
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
3-[[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315363
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine (CID 75398503) is 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine is O=[N+]([O-])c1cc(F)ccc1N1CCC(n2ccnn2)CC1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine?
The InChIKey is WZYCCUZNVJEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-10-1-2-12(13(9-10)19(20)21)17-6-3-11(4-7-17)18-8-5-15-16-18/h1-2,5,8-9,11H,3-4,6-7H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine?
1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine has a molecular weight of 291.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 75398503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).