(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone

C10H17FN2O — CID 18179755

IUPAC(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(F)CC1
InChIInChI=1S/C10H17FN2O/c11-8-3-6-13(7-4-8)10(14)9-2-1-5-12-9/h8-9,12H,1-7H2
InChIKeyCSPYPUSQHSBZBW-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.70
Rot. Bonds1

About (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone

(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone (PubChem CID 18179755) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone
PubChem CID18179755
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(F)CC1
InChIInChI=1S/C10H17FN2O/c11-8-3-6-13(7-4-8)10(14)9-2-1-5-12-9/h8-9,12H,1-7H2
InChIKeyCSPYPUSQHSBZBW-UHFFFAOYSA-N
XLogP0.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone (CID 18179755) is (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is CSPYPUSQHSBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-8-3-6-13(7-4-8)10(14)9-2-1-5-12-9/h8-9,12H,1-7H2.
What are the key properties of (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone?
(4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 200.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 18179755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).