[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid

C12H18FN2O3P — CID 67080586

IUPAC[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid
SMILESO=P(O)(O)N(Cc1ccccc1)C1CNCCC1F
InChIInChI=1S/C12H18FN2O3P/c13-11-6-7-14-8-12(11)15(19(16,17)18)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H2,16,17,18)
InChIKeyNYHLYHIXZPQHTO-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.28
Rot. Bonds4

About [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid

[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid (PubChem CID 67080586) has the molecular formula C12H18FN2O3P and a molecular weight of 288.26 g/mol. Its IUPAC name is [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid.

Molecular Properties

Compound Name[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid
PubChem CID67080586
Molecular FormulaC12H18FN2O3P
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid
SMILESO=P(O)(O)N(Cc1ccccc1)C1CNCCC1F
InChIInChI=1S/C12H18FN2O3P/c13-11-6-7-14-8-12(11)15(19(16,17)18)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H2,16,17,18)
InChIKeyNYHLYHIXZPQHTO-UHFFFAOYSA-N
XLogP1.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
CID 68612218
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
CID 67080607
(3S)-N-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648784
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 175352896
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100

Frequently Asked Questions

What is the IUPAC name of [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid?
The IUPAC name of [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid (CID 67080586) is [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid.
What is the SMILES notation for [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid?
The canonical SMILES for [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid is O=P(O)(O)N(Cc1ccccc1)C1CNCCC1F.
What is the InChIKey of [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid?
The InChIKey is NYHLYHIXZPQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN2O3P/c13-11-6-7-14-8-12(11)15(19(16,17)18)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H2,16,17,18).
What are the key properties of [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid?
[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid has a molecular weight of 288.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid is sourced from PubChem (CID 67080586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).