4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide

C8H16FN3 — CID 121203180

IUPAC4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C)(CF)CC1
InChIInChI=1S/C8H16FN3/c1-8(6-9)2-4-12(5-3-8)7(10)11/h2-6H2,1H3,(H3,10,11)
InChIKeyDKWMRYZCEGXRLP-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds1

About 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide

4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 121203180) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID121203180
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C)(CF)CC1
InChIInChI=1S/C8H16FN3/c1-8(6-9)2-4-12(5-3-8)7(10)11/h2-6H2,1H3,(H3,10,11)
InChIKeyDKWMRYZCEGXRLP-UHFFFAOYSA-N
XLogP0.95
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide (CID 121203180) is 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is DKWMRYZCEGXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-8(6-9)2-4-12(5-3-8)7(10)11/h2-6H2,1H3,(H3,10,11).
What are the key properties of 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide?
4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 173.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 121203180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).