(3R)-3-(fluoromethyl)piperidine-1-carboximidamide

C7H14FN3 — CID 129493785

IUPAC(3R)-3-(fluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@@H](CF)C1
InChIInChI=1S/C7H14FN3/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5H2,(H3,9,10)/t6-/m0/s1
InChIKeyABBSPBAPAQAPQT-LURJTMIESA-N
MW159.21 g/mol
LogP0.56
Rot. Bonds1

About (3R)-3-(fluoromethyl)piperidine-1-carboximidamide

(3R)-3-(fluoromethyl)piperidine-1-carboximidamide (PubChem CID 129493785) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)piperidine-1-carboximidamide
PubChem CID129493785
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name(3R)-3-(fluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@@H](CF)C1
InChIInChI=1S/C7H14FN3/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5H2,(H3,9,10)/t6-/m0/s1
InChIKeyABBSPBAPAQAPQT-LURJTMIESA-N
XLogP0.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.56
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

Piperidine-1-carboxamidine
CID 205051
4-Methylpiperidine-1-carboximidamide
CID 3056395
N'-hydroxy-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 77073202
Piperidine-1-carboximidoyl fluoride
CID 89319756
4,4-Difluoropiperidine-1-carboximidamide
CID 121200766
4-Fluoropiperidine-1-carboximidamide
CID 121200847
3-(Fluoromethyl)piperidine-1-carboximidamide
CID 121200973
2-Fluoro-3-methylpiperidine-1-carboximidamide
CID 174885218
3-Methylpiperidine-1-carboximidamide
CID 12011844
3-(Trifluoromethyl)piperidine-1-carboximidamide
CID 60723760
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
4-(Trifluoromethyl)piperidine-1-carboximidamide
CID 65539232

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of (3R)-3-(fluoromethyl)piperidine-1-carboximidamide (CID 129493785) is (3R)-3-(fluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-(fluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for (3R)-3-(fluoromethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@@H](CF)C1.
What is the InChIKey of (3R)-3-(fluoromethyl)piperidine-1-carboximidamide?
The InChIKey is ABBSPBAPAQAPQT-LURJTMIESA-N. The full InChI is InChI=1S/C7H14FN3/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5H2,(H3,9,10)/t6-/m0/s1.
What are the key properties of (3R)-3-(fluoromethyl)piperidine-1-carboximidamide?
(3R)-3-(fluoromethyl)piperidine-1-carboximidamide has a molecular weight of 159.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 129493785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).