N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine

C12H17FN4O2 — CID 126821677

IUPACN-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCCN(CCF)C1
InChIInChI=1S/C12H17FN4O2/c13-5-8-16-7-2-3-10(9-16)15-12-11(17(18)19)4-1-6-14-12/h1,4,6,10H,2-3,5,7-9H2,(H,14,15)
InChIKeyUUSAMCGPFFJRCJ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine

N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine (PubChem CID 126821677) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
PubChem CID126821677
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC NameN-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCCN(CCF)C1
InChIInChI=1S/C12H17FN4O2/c13-5-8-16-7-2-3-10(9-16)15-12-11(17(18)19)4-1-6-14-12/h1,4,6,10H,2-3,5,7-9H2,(H,14,15)
InChIKeyUUSAMCGPFFJRCJ-UHFFFAOYSA-N
XLogP1.84
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-3-nitropyridin-2-amine
CID 133325739
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
CID 103079772
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine (CID 126821677) is N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1NC1CCCN(CCF)C1.
What is the InChIKey of N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine?
The InChIKey is UUSAMCGPFFJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-5-8-16-7-2-3-10(9-16)15-12-11(17(18)19)4-1-6-14-12/h1,4,6,10H,2-3,5,7-9H2,(H,14,15).
What are the key properties of N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine?
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine has a molecular weight of 268.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 126821677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).