N-[3-(3-fluoropiperidin-1-yl)propyl]formamide

C9H17FN2O — CID 87596522

IUPACN-[3-(3-fluoropiperidin-1-yl)propyl]formamide
SMILESO=CNCCCN1CCCC(F)C1
InChIInChI=1S/C9H17FN2O/c10-9-3-1-5-12(7-9)6-2-4-11-8-13/h8-9H,1-7H2,(H,11,13)
InChIKeyMYNSVNXURVKUSF-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.56
Rot. Bonds5

About N-[3-(3-fluoropiperidin-1-yl)propyl]formamide

N-[3-(3-fluoropiperidin-1-yl)propyl]formamide (PubChem CID 87596522) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-[3-(3-fluoropiperidin-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(3-fluoropiperidin-1-yl)propyl]formamide
PubChem CID87596522
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-[3-(3-fluoropiperidin-1-yl)propyl]formamide
SMILESO=CNCCCN1CCCC(F)C1
InChIInChI=1S/C9H17FN2O/c10-9-3-1-5-12(7-9)6-2-4-11-8-13/h8-9H,1-7H2,(H,11,13)
InChIKeyMYNSVNXURVKUSF-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoropiperidin-1-yl)propyl]formamide?
The IUPAC name of N-[3-(3-fluoropiperidin-1-yl)propyl]formamide (CID 87596522) is N-[3-(3-fluoropiperidin-1-yl)propyl]formamide.
What is the SMILES notation for N-[3-(3-fluoropiperidin-1-yl)propyl]formamide?
The canonical SMILES for N-[3-(3-fluoropiperidin-1-yl)propyl]formamide is O=CNCCCN1CCCC(F)C1.
What is the InChIKey of N-[3-(3-fluoropiperidin-1-yl)propyl]formamide?
The InChIKey is MYNSVNXURVKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-9-3-1-5-12(7-9)6-2-4-11-8-13/h8-9H,1-7H2,(H,11,13).
What are the key properties of N-[3-(3-fluoropiperidin-1-yl)propyl]formamide?
N-[3-(3-fluoropiperidin-1-yl)propyl]formamide has a molecular weight of 188.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoropiperidin-1-yl)propyl]formamide is sourced from PubChem (CID 87596522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).