1-(3-fluoropropyl)piperidine-4-carboximidamide

C9H18FN3 — CID 81106732

IUPAC1-(3-fluoropropyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCCF)CC1
InChIInChI=1S/C9H18FN3/c10-4-1-5-13-6-2-8(3-7-13)9(11)12/h8H,1-7H2,(H3,11,12)
InChIKeyBQVCXDLNMMAVCE-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.99
Rot. Bonds4

About 1-(3-fluoropropyl)piperidine-4-carboximidamide

1-(3-fluoropropyl)piperidine-4-carboximidamide (PubChem CID 81106732) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)piperidine-4-carboximidamide
PubChem CID81106732
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name1-(3-fluoropropyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCCF)CC1
InChIInChI=1S/C9H18FN3/c10-4-1-5-13-6-2-8(3-7-13)9(11)12/h8H,1-7H2,(H3,11,12)
InChIKeyBQVCXDLNMMAVCE-UHFFFAOYSA-N
XLogP0.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.99
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-fluoropropyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(3-fluoropropyl)piperidine-4-carboximidamide (CID 81106732) is 1-(3-fluoropropyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-fluoropropyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(3-fluoropropyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)piperidine-4-carboximidamide?
The InChIKey is BQVCXDLNMMAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3/c10-4-1-5-13-6-2-8(3-7-13)9(11)12/h8H,1-7H2,(H3,11,12).
What are the key properties of 1-(3-fluoropropyl)piperidine-4-carboximidamide?
1-(3-fluoropropyl)piperidine-4-carboximidamide has a molecular weight of 187.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)piperidine-4-carboximidamide is sourced from PubChem (CID 81106732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).