(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine

C11H14FN3O2 — CID 102986457

IUPAC(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2cc(F)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H14FN3O2/c12-8-4-10(6-11(5-8)15(16)17)14-3-1-2-9(13)7-14/h4-6,9H,1-3,7,13H2/t9-/m1/s1
InChIKeyNLHSCYQLAPOTSO-SECBINFHSA-N
MW239.25 g/mol
LogP1.66
Rot. Bonds2

About (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine

(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine (PubChem CID 102986457) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
PubChem CID102986457
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2cc(F)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H14FN3O2/c12-8-4-10(6-11(5-8)15(16)17)14-3-1-2-9(13)7-14/h4-6,9H,1-3,7,13H2/t9-/m1/s1
InChIKeyNLHSCYQLAPOTSO-SECBINFHSA-N
XLogP1.66
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.66
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

1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
3-(3-fluoro-5-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314555
4-(3-fluoro-5-nitrophenyl)-1,4-thiazepane 1,1-dioxide
CID 114083623
1-(3-amino-5-nitrophenyl)piperidin-3-ol
CID 80779870
4-(3-fluoro-5-nitrophenyl)morpholine-2-carbonitrile
CID 80748458
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
4-(3-fluoro-5-nitrophenyl)piperazine-2,6-dione
CID 80748576
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine
CID 102745011
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
4-(3-fluoro-5-nitrophenyl)-2,2,6-trimethylmorpholine
CID 80751861

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine (CID 102986457) is (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine is N[C@@H]1CCCN(c2cc(F)cc([N+](=O)[O-])c2)C1.
What is the InChIKey of (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine?
The InChIKey is NLHSCYQLAPOTSO-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-4-10(6-11(5-8)15(16)17)14-3-1-2-9(13)7-14/h4-6,9H,1-3,7,13H2/t9-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine?
(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine has a molecular weight of 239.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 102986457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).