1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine

C11H20F3N — CID 123530279

IUPAC1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine
SMILESCCC(CC(F)(F)F)C1CCCCN1C
InChIInChI=1S/C11H20F3N/c1-3-9(8-11(12,13)14)10-6-4-5-7-15(10)2/h9-10H,3-8H2,1-2H3
InChIKeyHSCDMQXQQHXROY-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.45
Rot. Bonds3

About 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine

1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine (PubChem CID 123530279) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine
PubChem CID123530279
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine
SMILESCCC(CC(F)(F)F)C1CCCCN1C
InChIInChI=1S/C11H20F3N/c1-3-9(8-11(12,13)14)10-6-4-5-7-15(10)2/h9-10H,3-8H2,1-2H3
InChIKeyHSCDMQXQQHXROY-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine?
The IUPAC name of 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine (CID 123530279) is 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine.
What is the SMILES notation for 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine?
The canonical SMILES for 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine is CCC(CC(F)(F)F)C1CCCCN1C.
What is the InChIKey of 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine?
The InChIKey is HSCDMQXQQHXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-9(8-11(12,13)14)10-6-4-5-7-15(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine?
1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine is sourced from PubChem (CID 123530279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).