1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone

C9H17FN2O — CID 123725491

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone
SMILESCN(C)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C9H17FN2O/c1-11(2)8-3-5-12(6-4-8)9(13)7-10/h8H,3-7H2,1-2H3
InChIKeyRBDYEFMUBISSLB-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.51
Rot. Bonds2

About 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone

1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone (PubChem CID 123725491) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone
PubChem CID123725491
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone
SMILESCN(C)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C9H17FN2O/c1-11(2)8-3-5-12(6-4-8)9(13)7-10/h8H,3-7H2,1-2H3
InChIKeyRBDYEFMUBISSLB-UHFFFAOYSA-N
XLogP0.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone (CID 123725491) is 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone is CN(C)C1CCN(C(=O)CF)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone?
The InChIKey is RBDYEFMUBISSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-11(2)8-3-5-12(6-4-8)9(13)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone?
1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone has a molecular weight of 188.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-2-fluoroethanone is sourced from PubChem (CID 123725491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).