N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide

C7H14FN3 — CID 176963695

IUPACN'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide
SMILESC/C(N)=N\[C@@H]1CNC[C@@H](F)C1
InChIInChI=1S/C7H14FN3/c1-5(9)11-7-2-6(8)3-10-4-7/h6-7,10H,2-4H2,1H3,(H2,9,11)/t6-,7-/m0/s1
InChIKeyASLWFXHFBWNJOY-BQBZGAKWSA-N
MW159.21 g/mol
LogP0.06
Rot. Bonds1

About N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide

N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide (PubChem CID 176963695) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide
PubChem CID176963695
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC NameN'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide
SMILESC/C(N)=N\[C@@H]1CNC[C@@H](F)C1
InChIInChI=1S/C7H14FN3/c1-5(9)11-7-2-6(8)3-10-4-7/h6-7,10H,2-4H2,1H3,(H2,9,11)/t6-,7-/m0/s1
InChIKeyASLWFXHFBWNJOY-BQBZGAKWSA-N
XLogP0.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-3,5-difluoropiperidine
CID 96532302
(3S,5R)-5-fluoropiperidin-3-ol;hydrochloride
CID 122164293
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
N'-(4-propylcyclohexyl)ethanimidamide
CID 63173139
bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
CID 174724758
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
CID 89035968
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
4-fluoropyrrolidin-2-ol
CID 89311737
3-(3-fluorocyclobutyl)azetidine;hydrochloride
CID 155893833
3-fluoro-4-prop-1-en-2-ylpyrrolidine
CID 123754739

Frequently Asked Questions

What is the IUPAC name of N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide?
The IUPAC name of N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide (CID 176963695) is N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide?
The canonical SMILES for N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide is C/C(N)=N\[C@@H]1CNC[C@@H](F)C1.
What is the InChIKey of N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide?
The InChIKey is ASLWFXHFBWNJOY-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14FN3/c1-5(9)11-7-2-6(8)3-10-4-7/h6-7,10H,2-4H2,1H3,(H2,9,11)/t6-,7-/m0/s1.
What are the key properties of N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide?
N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide has a molecular weight of 159.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S,5S)-5-fluoropiperidin-3-yl]ethanimidamide is sourced from PubChem (CID 176963695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).