4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine

C16H30FNO — CID 177009999

IUPAC4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(CCF)CC2)CCC1
InChIInChI=1S/C16H30FNO/c1-14(2)19-13-16(7-3-8-16)12-18-10-5-15(4-9-17)6-11-18/h14-15H,3-13H2,1-2H3
InChIKeyJMHBCXOWSAVIJD-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.65
Rot. Bonds7

About 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine

4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine (PubChem CID 177009999) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
PubChem CID177009999
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(CCF)CC2)CCC1
InChIInChI=1S/C16H30FNO/c1-14(2)19-13-16(7-3-8-16)12-18-10-5-15(4-9-17)6-11-18/h14-15H,3-13H2,1-2H3
InChIKeyJMHBCXOWSAVIJD-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The IUPAC name of 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine (CID 177009999) is 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine.
What is the SMILES notation for 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The canonical SMILES for 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine is CC(C)OCC1(CN2CCC(CCF)CC2)CCC1.
What is the InChIKey of 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The InChIKey is JMHBCXOWSAVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-14(2)19-13-16(7-3-8-16)12-18-10-5-15(4-9-17)6-11-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine has a molecular weight of 271.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine is sourced from PubChem (CID 177009999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).