4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine

C14H28FNO — CID 123897215

IUPAC4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine
SMILESCCCCC1(F)CCN(CC(C)(C)OC)CC1
InChIInChI=1S/C14H28FNO/c1-5-6-7-14(15)8-10-16(11-9-14)12-13(2,3)17-4/h5-12H2,1-4H3
InChIKeyIODGEJBFBKNBEJ-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.41
Rot. Bonds6

About 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine

4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine (PubChem CID 123897215) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine
PubChem CID123897215
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine
SMILESCCCCC1(F)CCN(CC(C)(C)OC)CC1
InChIInChI=1S/C14H28FNO/c1-5-6-7-14(15)8-10-16(11-9-14)12-13(2,3)17-4/h5-12H2,1-4H3
InChIKeyIODGEJBFBKNBEJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine?
The IUPAC name of 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine (CID 123897215) is 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine.
What is the SMILES notation for 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine?
The canonical SMILES for 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine is CCCCC1(F)CCN(CC(C)(C)OC)CC1.
What is the InChIKey of 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine?
The InChIKey is IODGEJBFBKNBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-5-6-7-14(15)8-10-16(11-9-14)12-13(2,3)17-4/h5-12H2,1-4H3.
What are the key properties of 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine?
4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine has a molecular weight of 245.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-fluoro-1-(2-methoxy-2-methylpropyl)piperidine is sourced from PubChem (CID 123897215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).