N-(3-fluoropiperidin-4-yl)formamide

C6H11FN2O — CID 172641452

IUPACN-(3-fluoropiperidin-4-yl)formamide
SMILESO=CNC1CCNCC1F
InChIInChI=1S/C6H11FN2O/c7-5-3-8-2-1-6(5)9-4-10/h4-6,8H,1-3H2,(H,9,10)
InChIKeyBHHGLKZAEWHTSI-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.57
Rot. Bonds2

About N-(3-fluoropiperidin-4-yl)formamide

N-(3-fluoropiperidin-4-yl)formamide (PubChem CID 172641452) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is N-(3-fluoropiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(3-fluoropiperidin-4-yl)formamide
PubChem CID172641452
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC NameN-(3-fluoropiperidin-4-yl)formamide
SMILESO=CNC1CCNCC1F
InChIInChI=1S/C6H11FN2O/c7-5-3-8-2-1-6(5)9-4-10/h4-6,8H,1-3H2,(H,9,10)
InChIKeyBHHGLKZAEWHTSI-UHFFFAOYSA-N
XLogP-0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropiperidin-4-yl)formamide?
The IUPAC name of N-(3-fluoropiperidin-4-yl)formamide (CID 172641452) is N-(3-fluoropiperidin-4-yl)formamide.
What is the SMILES notation for N-(3-fluoropiperidin-4-yl)formamide?
The canonical SMILES for N-(3-fluoropiperidin-4-yl)formamide is O=CNC1CCNCC1F.
What is the InChIKey of N-(3-fluoropiperidin-4-yl)formamide?
The InChIKey is BHHGLKZAEWHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-5-3-8-2-1-6(5)9-4-10/h4-6,8H,1-3H2,(H,9,10).
What are the key properties of N-(3-fluoropiperidin-4-yl)formamide?
N-(3-fluoropiperidin-4-yl)formamide has a molecular weight of 146.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropiperidin-4-yl)formamide is sourced from PubChem (CID 172641452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).