cyclopropyl-(4-fluoropiperidin-1-yl)methanone

C9H14FNO — CID 164650406

IUPACcyclopropyl-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(F)CC1
InChIInChI=1S/C9H14FNO/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6H2
InChIKeyGMNKKRFSQBKQOB-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.36
Rot. Bonds1

About cyclopropyl-(4-fluoropiperidin-1-yl)methanone

cyclopropyl-(4-fluoropiperidin-1-yl)methanone (PubChem CID 164650406) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is cyclopropyl-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-fluoropiperidin-1-yl)methanone
PubChem CID164650406
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Namecyclopropyl-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(F)CC1
InChIInChI=1S/C9H14FNO/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6H2
InChIKeyGMNKKRFSQBKQOB-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-fluoropiperidin-1-yl)methanone (CID 164650406) is cyclopropyl-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-fluoropiperidin-1-yl)methanone is O=C(C1CC1)N1CCC(F)CC1.
What is the InChIKey of cyclopropyl-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is GMNKKRFSQBKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6H2.
What are the key properties of cyclopropyl-(4-fluoropiperidin-1-yl)methanone?
cyclopropyl-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 171.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 164650406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).