1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide

C9H16F3N3 — CID 64566497

IUPAC1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)3-5-15-4-1-2-7(6-15)8(13)14/h7H,1-6H2,(H3,13,14)
InChIKeyZGCUWGCFDPRWAE-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.59
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide

1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide (PubChem CID 64566497) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide
PubChem CID64566497
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)3-5-15-4-1-2-7(6-15)8(13)14/h7H,1-6H2,(H3,13,14)
InChIKeyZGCUWGCFDPRWAE-UHFFFAOYSA-N
XLogP1.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide (CID 64566497) is 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide?
The InChIKey is ZGCUWGCFDPRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c10-9(11,12)3-5-15-4-1-2-7(6-15)8(13)14/h7H,1-6H2,(H3,13,14).
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide?
1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide has a molecular weight of 223.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-3-carboximidamide is sourced from PubChem (CID 64566497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).