(1-fluoropiperidin-4-yl)methanamine

C6H13FN2 — CID 88998861

IUPAC(1-fluoropiperidin-4-yl)methanamine
SMILESNCC1CCN(F)CC1
InChIInChI=1S/C6H13FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-5,8H2
InChIKeyBGRFAFVUUIOJIE-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.54
Rot. Bonds1

About (1-fluoropiperidin-4-yl)methanamine

(1-fluoropiperidin-4-yl)methanamine (PubChem CID 88998861) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (1-fluoropiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-fluoropiperidin-4-yl)methanamine
PubChem CID88998861
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(1-fluoropiperidin-4-yl)methanamine
SMILESNCC1CCN(F)CC1
InChIInChI=1S/C6H13FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-5,8H2
InChIKeyBGRFAFVUUIOJIE-UHFFFAOYSA-N
XLogP0.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluoropiperidin-4-yl)methanamine?
The IUPAC name of (1-fluoropiperidin-4-yl)methanamine (CID 88998861) is (1-fluoropiperidin-4-yl)methanamine.
What is the SMILES notation for (1-fluoropiperidin-4-yl)methanamine?
The canonical SMILES for (1-fluoropiperidin-4-yl)methanamine is NCC1CCN(F)CC1.
What is the InChIKey of (1-fluoropiperidin-4-yl)methanamine?
The InChIKey is BGRFAFVUUIOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-5,8H2.
What are the key properties of (1-fluoropiperidin-4-yl)methanamine?
(1-fluoropiperidin-4-yl)methanamine has a molecular weight of 132.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoropiperidin-4-yl)methanamine is sourced from PubChem (CID 88998861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).