N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride

C11H15ClFN3O2 — CID 53255785

IUPACN-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1c(F)cccc1NC1CCNCC1
InChIInChI=1S/C11H14FN3O2.ClH/c12-9-2-1-3-10(11(9)15(16)17)14-8-4-6-13-7-5-8;/h1-3,8,13-14H,4-7H2;1H
InChIKeyZBCLHJPYXIKUGT-UHFFFAOYSA-N
MW275.71 g/mol
LogP2.32
Rot. Bonds3

About N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride

N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride (PubChem CID 53255785) has the molecular formula C11H15ClFN3O2 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
PubChem CID53255785
Molecular FormulaC11H15ClFN3O2
Molecular Weight275.71 g/mol
Exact Mass275.08
IUPAC NameN-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1c(F)cccc1NC1CCNCC1
InChIInChI=1S/C11H14FN3O2.ClH/c12-9-2-1-3-10(11(9)15(16)17)14-8-4-6-13-7-5-8;/h1-3,8,13-14H,4-7H2;1H
InChIKeyZBCLHJPYXIKUGT-UHFFFAOYSA-N
XLogP2.32
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

3-fluoro-N-(3-methoxycyclopentyl)-2-nitroaniline
CID 103082049
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
cis-methyl (1S,3R)-3-(3-fluoro-2-nitroanilino)cyclopentane-1-carboxylate
CID 122148615
N-(2,2-dimethylcyclopropyl)-3-fluoro-2-nitroaniline
CID 61397699
N-(3-fluoro-2-nitrophenyl)-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 56804320
trans-(1R,2R)-2-N-(3-fluoro-2-nitrophenyl)cyclohexane-1,2-diamine
CID 93454050
N-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696949
tert-butyl 4-(3-fluoro-2-nitroanilino)piperidine-1-carboxylate
CID 53255496
N,3-difluoro-2-nitroaniline
CID 87619715
1-[3-(3-fluoro-2-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 133366730
2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960637

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride (CID 53255785) is N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride is Cl.O=[N+]([O-])c1c(F)cccc1NC1CCNCC1.
What is the InChIKey of N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride?
The InChIKey is ZBCLHJPYXIKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2.ClH/c12-9-2-1-3-10(11(9)15(16)17)14-8-4-6-13-7-5-8;/h1-3,8,13-14H,4-7H2;1H.
What are the key properties of N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride?
N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride has a molecular weight of 275.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 53255785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).