1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one

C10H16ClFN2O — CID 155424276

IUPAC1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one
SMILESO=C1CCCCN1C1CN(Cl)CCC1F
InChIInChI=1S/C10H16ClFN2O/c11-13-6-4-8(12)9(7-13)14-5-2-1-3-10(14)15/h8-9H,1-7H2
InChIKeyYVZFLQNHCDBTMG-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.57
Rot. Bonds1

About 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one

1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one (PubChem CID 155424276) has the molecular formula C10H16ClFN2O and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one
PubChem CID155424276
Molecular FormulaC10H16ClFN2O
Molecular Weight234.70 g/mol
Exact Mass234.09
IUPAC Name1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one
SMILESO=C1CCCCN1C1CN(Cl)CCC1F
InChIInChI=1S/C10H16ClFN2O/c11-13-6-4-8(12)9(7-13)14-5-2-1-3-10(14)15/h8-9H,1-7H2
InChIKeyYVZFLQNHCDBTMG-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one?
The IUPAC name of 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one (CID 155424276) is 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one.
What is the SMILES notation for 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one?
The canonical SMILES for 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one is O=C1CCCCN1C1CN(Cl)CCC1F.
What is the InChIKey of 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one?
The InChIKey is YVZFLQNHCDBTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN2O/c11-13-6-4-8(12)9(7-13)14-5-2-1-3-10(14)15/h8-9H,1-7H2.
What are the key properties of 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one?
1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one has a molecular weight of 234.70 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-4-fluoropiperidin-3-yl)piperidin-2-one is sourced from PubChem (CID 155424276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).