2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide

C9H17FN2O — CID 177322611

IUPAC2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCNCC1F
InChIInChI=1S/C9H17FN2O/c1-12(2)9(13)5-7-3-4-11-6-8(7)10/h7-8,11H,3-6H2,1-2H3
InChIKeyWKXHCWNSONJAPC-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.41
Rot. Bonds2

About 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide

2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide (PubChem CID 177322611) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide
PubChem CID177322611
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCNCC1F
InChIInChI=1S/C9H17FN2O/c1-12(2)9(13)5-7-3-4-11-6-8(7)10/h7-8,11H,3-6H2,1-2H3
InChIKeyWKXHCWNSONJAPC-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide (CID 177322611) is 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCNCC1F.
What is the InChIKey of 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide?
The InChIKey is WKXHCWNSONJAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-12(2)9(13)5-7-3-4-11-6-8(7)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide?
2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide has a molecular weight of 188.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 177322611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).