1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine

C13H26FNO — CID 134271501

IUPAC1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine
SMILESCC(F)OC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H26FNO/c1-11(14)16-12-5-8-15(9-6-12)10-7-13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyHSHUHIFHXGQURH-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.22
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine

1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine (PubChem CID 134271501) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine
PubChem CID134271501
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine
SMILESCC(F)OC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H26FNO/c1-11(14)16-12-5-8-15(9-6-12)10-7-13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyHSHUHIFHXGQURH-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine (CID 134271501) is 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine is CC(F)OC1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine?
The InChIKey is HSHUHIFHXGQURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-11(14)16-12-5-8-15(9-6-12)10-7-13(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine?
1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine has a molecular weight of 231.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-(1-fluoroethoxy)piperidine is sourced from PubChem (CID 134271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).