1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine

C15H29FN2 — CID 166537156

IUPAC1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine
SMILESCCC[C@@H](F)C1CN(CC2CCN(CC)CC2)C1
InChIInChI=1S/C15H29FN2/c1-3-5-15(16)14-11-18(12-14)10-13-6-8-17(4-2)9-7-13/h13-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyYBDGEPJBQMPTNL-OAHLLOKOSA-N
MW256.41 g/mol
LogP2.79
Rot. Bonds6

About 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine

1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine (PubChem CID 166537156) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine
PubChem CID166537156
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine
SMILESCCC[C@@H](F)C1CN(CC2CCN(CC)CC2)C1
InChIInChI=1S/C15H29FN2/c1-3-5-15(16)14-11-18(12-14)10-13-6-8-17(4-2)9-7-13/h13-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyYBDGEPJBQMPTNL-OAHLLOKOSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine?
The IUPAC name of 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine (CID 166537156) is 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine is CCC[C@@H](F)C1CN(CC2CCN(CC)CC2)C1.
What is the InChIKey of 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine?
The InChIKey is YBDGEPJBQMPTNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H29FN2/c1-3-5-15(16)14-11-18(12-14)10-13-6-8-17(4-2)9-7-13/h13-15H,3-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine?
1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine has a molecular weight of 256.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-[(1R)-1-fluorobutyl]azetidin-1-yl]methyl]piperidine is sourced from PubChem (CID 166537156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).