2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium

C9H18FN2O2+ — CID 88529065

IUPAC2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium
SMILESC[N+](O)(CCF)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C9H18FN2O2/c1-12(14,7-5-10)9(13)8-4-2-3-6-11-8/h8,11,14H,2-7H2,1H3/q+1/t8-,12?/m0/s1
InChIKeyUELAELALGJUVDN-KBPLZSHQSA-N
MW205.25 g/mol
LogP0.46
Rot. Bonds3

About 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium

2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium (PubChem CID 88529065) has the molecular formula C9H18FN2O2+ and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium.

Molecular Properties

Compound Name2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium
PubChem CID88529065
Molecular FormulaC9H18FN2O2+
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium
SMILESC[N+](O)(CCF)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C9H18FN2O2/c1-12(14,7-5-10)9(13)8-4-2-3-6-11-8/h8,11,14H,2-7H2,1H3/q+1/t8-,12?/m0/s1
InChIKeyUELAELALGJUVDN-KBPLZSHQSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium?
The IUPAC name of 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium (CID 88529065) is 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium.
What is the SMILES notation for 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium?
The canonical SMILES for 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium is C[N+](O)(CCF)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium?
The InChIKey is UELAELALGJUVDN-KBPLZSHQSA-N. The full InChI is InChI=1S/C9H18FN2O2/c1-12(14,7-5-10)9(13)8-4-2-3-6-11-8/h8,11,14H,2-7H2,1H3/q+1/t8-,12?/m0/s1.
What are the key properties of 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium?
2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium has a molecular weight of 205.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium is sourced from PubChem (CID 88529065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).