4-(2-fluoroethyl)piperidine-1-carboximidamide

C8H16FN3 — CID 121201056

IUPAC4-(2-fluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCF)CC1
InChIInChI=1S/C8H16FN3/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyHEYPFRDPNIQROJ-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds2

About 4-(2-fluoroethyl)piperidine-1-carboximidamide

4-(2-fluoroethyl)piperidine-1-carboximidamide (PubChem CID 121201056) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperidine-1-carboximidamide
PubChem CID121201056
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name4-(2-fluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCF)CC1
InChIInChI=1S/C8H16FN3/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyHEYPFRDPNIQROJ-UHFFFAOYSA-N
XLogP0.95
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
4-[(methylideneamino)methyl]piperidine-1-carboximidamide
CID 58804643
phenyl 3-(1-carbamimidoylpiperidin-4-yl)propanoate;hydrochloride
CID 70508389
[5-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperazine-1-carboxylate
CID 18397345
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
phenylmethoxycarbonyl 3-(1-carbamimidoylpiperidin-4-yl)propanoate
CID 88720114
(4-methylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate
CID 15583522
(4-cyanophenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate
CID 13188154
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine
CID 63176537

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(2-fluoroethyl)piperidine-1-carboximidamide (CID 121201056) is 4-(2-fluoroethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(2-fluoroethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(2-fluoroethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)piperidine-1-carboximidamide?
The InChIKey is HEYPFRDPNIQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6H2,(H3,10,11).
What are the key properties of 4-(2-fluoroethyl)piperidine-1-carboximidamide?
4-(2-fluoroethyl)piperidine-1-carboximidamide has a molecular weight of 173.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 121201056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).